N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide

C24H24Cl2F6N2O — CID 23567251

IUPACN-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NC[C@H](CCNC1CCCC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24Cl2F6N2O/c25-20-6-5-14(11-21(20)26)15(7-8-33-19-3-1-2-4-19)13-34-22(35)16-9-17(23(27,28)29)12-18(10-16)24(30,31)32/h5-6,9-12,15,19,33H,1-4,7-8,13H2,(H,34,35)/t15-/m0/s1
InChIKeyFZOODEMWAJXFQE-HNNXBMFYSA-N
MW541.36 g/mol
LogP7.47
Rot. Bonds8

About N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide

N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 23567251) has the molecular formula C24H24Cl2F6N2O and a molecular weight of 541.36 g/mol. Its IUPAC name is N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID23567251
Molecular FormulaC24H24Cl2F6N2O
Molecular Weight541.36 g/mol
Exact Mass540.12
IUPAC NameN-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NC[C@H](CCNC1CCCC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24Cl2F6N2O/c25-20-6-5-14(11-21(20)26)15(7-8-33-19-3-1-2-4-19)13-34-22(35)16-9-17(23(27,28)29)12-18(10-16)24(30,31)32/h5-6,9-12,15,19,33H,1-4,7-8,13H2,(H,34,35)/t15-/m0/s1
InChIKeyFZOODEMWAJXFQE-HNNXBMFYSA-N
XLogP7.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.36
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dnk 333
CID 9939040
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide
CID 44358731
3,4-Dichloro-N-(3,3-diphenyl-allyl)-benzamide
CID 44265913
N-[(E)-1-(4-Chloro-benzyl)-3-(2-oxo-azepan-3-ylcarbamoyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide
CID 10077113
N-[(E)-(R)-1-(4-Chloro-benzyl)-3-((R)-2-oxo-azepan-3-ylcarbamoyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide
CID 10099939
N-[(E,2S)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 11734825
N-{[1-(4-Chloro-benzyl)-pyrrolidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
CID 9889422
N-[2-[[(1S,2S)-2-[(4-chlorophenyl)methylamino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 9956260
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide
CID 11589093
4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 11796211

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide (CID 23567251) is N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NC[C@H](CCNC1CCCC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is FZOODEMWAJXFQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24Cl2F6N2O/c25-20-6-5-14(11-21(20)26)15(7-8-33-19-3-1-2-4-19)13-34-22(35)16-9-17(23(27,28)29)12-18(10-16)24(30,31)32/h5-6,9-12,15,19,33H,1-4,7-8,13H2,(H,34,35)/t15-/m0/s1.
What are the key properties of N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 541.36 g/mol, XLogP of 7.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 23567251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).