N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide

C25H31FN2O2 — CID 42859503

IUPACN-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESCCCN(C)C(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)C2CCCC2)c1
InChIInChI=1S/C25H31FN2O2/c1-3-15-27(2)24(29)17-20-7-6-10-23(16-20)28(25(30)21-8-4-5-9-21)18-19-11-13-22(26)14-12-19/h6-7,10-14,16,21H,3-5,8-9,15,17-18H2,1-2H3
InChIKeyWXYLDTLTAFWTLQ-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.96
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide

N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide (PubChem CID 42859503) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
PubChem CID42859503
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESCCCN(C)C(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)C2CCCC2)c1
InChIInChI=1S/C25H31FN2O2/c1-3-15-27(2)24(29)17-20-7-6-10-23(16-20)28(25(30)21-8-4-5-9-21)18-19-11-13-22(26)14-12-19/h6-7,10-14,16,21H,3-5,8-9,15,17-18H2,1-2H3
InChIKeyWXYLDTLTAFWTLQ-UHFFFAOYSA-N
XLogP4.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
CID 46052623
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[methyl(propyl)amino]phenyl]cyclohexanecarboxamide
CID 145278184
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057030
N-benzyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]cyclopentanecarboxamide
CID 42859326
(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 42859330
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46056998
N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide
CID 46056787
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 42859607

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide (CID 42859503) is N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide is CCCN(C)C(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)C2CCCC2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is WXYLDTLTAFWTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-3-15-27(2)24(29)17-20-7-6-10-23(16-20)28(25(30)21-8-4-5-9-21)18-19-11-13-22(26)14-12-19/h6-7,10-14,16,21H,3-5,8-9,15,17-18H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide?
N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 410.53 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 42859503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).