N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide

C80H80F8N10O4Si — CID 175373711

IUPACN-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(ccn2-c2cccc(C(F)(F)F)c2)c1.C=CC(=O)Nc1ccc2c(ccn2C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1.C=CC(=O)Nc1ccc2c(ccn2CCCN2CCC(F)(F)C2)c1.C=CC(=O)Nc1ccc2c(ccn2Cc2ccc([Si](C)(C)C)cc2)c1
InChIInChI=1S/C23H22F3N3O.C21H24N2OSi.C18H13F3N2O.C18H21F2N3O/c1-2-22(30)27-18-5-8-21-16(15-18)9-14-29(21)20-10-12-28(13-11-20)19-6-3-17(4-7-19)23(24,25)26;1-5-21(24)22-18-8-11-20-17(14-18)12-13-23(20)15-16-6-9-19(10-7-16)25(2,3)4;1-2-17(24)22-14-6-7-16-12(10-14)8-9-23(16)15-5-3-4-13(11-15)18(19,20)21;1-2-17(24)21-15-4-5-16-14(12-15)6-10-23(16)9-3-8-22-11-7-18(19,20)13-22/h2-9,14-15,20H,1,10-13H2,(H,27,30);5-14H,1,15H2,2-4H3,(H,22,24);2-11H,1H2,(H,22,24);2,4-6,10,12H,1,3,7-9,11,13H2,(H,21,24)
InChIKeyGCBRYMFFMVUWDU-UHFFFAOYSA-N
MW1425.66 g/mol
LogP18.26
Rot. Bonds18

About N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide

N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide (PubChem CID 175373711) has the molecular formula C80H80F8N10O4Si and a molecular weight of 1425.66 g/mol. Its IUPAC name is N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide
PubChem CID175373711
Molecular FormulaC80H80F8N10O4Si
Molecular Weight1425.66 g/mol
Exact Mass1424.60
IUPAC NameN-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(ccn2-c2cccc(C(F)(F)F)c2)c1.C=CC(=O)Nc1ccc2c(ccn2C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1.C=CC(=O)Nc1ccc2c(ccn2CCCN2CCC(F)(F)C2)c1.C=CC(=O)Nc1ccc2c(ccn2Cc2ccc([Si](C)(C)C)cc2)c1
InChIInChI=1S/C23H22F3N3O.C21H24N2OSi.C18H13F3N2O.C18H21F2N3O/c1-2-22(30)27-18-5-8-21-16(15-18)9-14-29(21)20-10-12-28(13-11-20)19-6-3-17(4-7-19)23(24,25)26;1-5-21(24)22-18-8-11-20-17(14-18)12-13-23(20)15-16-6-9-19(10-7-16)25(2,3)4;1-2-17(24)22-14-6-7-16-12(10-14)8-9-23(16)15-5-3-4-13(11-15)18(19,20)21;1-2-17(24)21-15-4-5-16-14(12-15)6-10-23(16)9-3-8-22-11-7-18(19,20)13-22/h2-9,14-15,20H,1,10-13H2,(H,27,30);5-14H,1,15H2,2-4H3,(H,22,24);2-11H,1H2,(H,22,24);2,4-6,10,12H,1,3,7-9,11,13H2,(H,21,24)
InChIKeyGCBRYMFFMVUWDU-UHFFFAOYSA-N
XLogP18.26
TPSA142.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001425.66
LogP ≤ 518.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide?
The IUPAC name of N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide (CID 175373711) is N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide?
The canonical SMILES for N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(ccn2-c2cccc(C(F)(F)F)c2)c1.C=CC(=O)Nc1ccc2c(ccn2C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1.C=CC(=O)Nc1ccc2c(ccn2CCCN2CCC(F)(F)C2)c1.C=CC(=O)Nc1ccc2c(ccn2Cc2ccc([Si](C)(C)C)cc2)c1.
What is the InChIKey of N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide?
The InChIKey is GCBRYMFFMVUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O.C21H24N2OSi.C18H13F3N2O.C18H21F2N3O/c1-2-22(30)27-18-5-8-21-16(15-18)9-14-29(21)20-10-12-28(13-11-20)19-6-3-17(4-7-19)23(24,25)26;1-5-21(24)22-18-8-11-20-17(14-18)12-13-23(20)15-16-6-9-19(10-7-16)25(2,3)4;1-2-17(24)22-14-6-7-16-12(10-14)8-9-23(16)15-5-3-4-13(11-15)18(19,20)21;1-2-17(24)21-15-4-5-16-14(12-15)6-10-23(16)9-3-8-22-11-7-18(19,20)13-22/h2-9,14-15,20H,1,10-13H2,(H,27,30);5-14H,1,15H2,2-4H3,(H,22,24);2-11H,1H2,(H,22,24);2,4-6,10,12H,1,3,7-9,11,13H2,(H,21,24).
What are the key properties of N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide?
N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide has a molecular weight of 1425.66 g/mol, XLogP of 18.26, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]indol-5-yl]prop-2-enamide;N-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide;N-[1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]indol-5-yl]prop-2-enamide;N-[1-[(4-trimethylsilylphenyl)methyl]indol-5-yl]prop-2-enamide is sourced from PubChem (CID 175373711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).