N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide

C21H24ClFN2O — CID 55478369

IUPACN-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
SMILESCC(NCC1(c2ccccc2)CCCC1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C21H24ClFN2O/c1-15(20(26)25-19-10-9-17(23)13-18(19)22)24-14-21(11-5-6-12-21)16-7-3-2-4-8-16/h2-4,7-10,13,15,24H,5-6,11-12,14H2,1H3,(H,25,26)
InChIKeyADLBUJCCEMOOAW-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.91
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide

N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide (PubChem CID 55478369) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
PubChem CID55478369
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
SMILESCC(NCC1(c2ccccc2)CCCC1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C21H24ClFN2O/c1-15(20(26)25-19-10-9-17(23)13-18(19)22)24-14-21(11-5-6-12-21)16-7-3-2-4-8-16/h2-4,7-10,13,15,24H,5-6,11-12,14H2,1H3,(H,25,26)
InChIKeyADLBUJCCEMOOAW-UHFFFAOYSA-N
XLogP4.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide
CID 47487314
(2S)-N-(2-chloro-4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 2454561
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-(2-chloro-4-fluorophenyl)propanamide
CID 8859904
(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
CID 33166500
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755176
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
CID 25477648

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide (CID 55478369) is N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide is CC(NCC1(c2ccccc2)CCCC1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide?
The InChIKey is ADLBUJCCEMOOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-15(20(26)25-19-10-9-17(23)13-18(19)22)24-14-21(11-5-6-12-21)16-7-3-2-4-8-16/h2-4,7-10,13,15,24H,5-6,11-12,14H2,1H3,(H,25,26).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide?
N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide has a molecular weight of 374.89 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide is sourced from PubChem (CID 55478369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).