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

C24H24Cl2F6N2O — CID 22177260

IUPACN-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC(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)
InChIKeyFZOODEMWAJXFQE-UHFFFAOYSA-N
MW541.36 g/mol
LogP7.47
Rot. Bonds8

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

N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 22177260) has the molecular formula C24H24Cl2F6N2O and a molecular weight of 541.36 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID22177260
Molecular FormulaC24H24Cl2F6N2O
Molecular Weight541.36 g/mol
Exact Mass540.12
IUPAC NameN-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC(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)
InChIKeyFZOODEMWAJXFQE-UHFFFAOYSA-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

1-[4-(cyclobutylamino)-2-(3,4-dichlorophenyl)butyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 23567529
1-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3-(3,4-dichlorophenyl)urea
CID 23567335
1-(3-chloro-4-fluorophenyl)-3-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]urea
CID 23567516
N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide
CID 23567622
1-[4-(cyclopentylamino)-2-[4-(3,4-dichlorophenyl)phenyl]butyl]-3-(3,5-dichlorophenyl)urea
CID 23567347
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,4-dichlorophenyl)-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butyl]urea
CID 23567428
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,4-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)butyl]urea
CID 23567427
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
N-[2-(cyclobutylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 91363286
N-[1-(3,4-dichlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-3,5-bis(trifluoromethyl)benzamide
CID 44536888
1-[2-(3,4-dichlorophenyl)-4-[2-(4-hydroxyphenyl)ethylamino]butyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 23567385

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide (CID 22177260) is N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCC(CCNC1CCCC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is FZOODEMWAJXFQE-UHFFFAOYSA-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).
What are the key properties of N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide?
N-[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-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 22177260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).