2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide

C20H23ClN2O — CID 53313403

IUPAC2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1N1CCCC1)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O/c1-2-15(16-9-3-4-10-17(16)21)20(24)22-18-11-5-6-12-19(18)23-13-7-8-14-23/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,22,24)
InChIKeyRPANVIVCJBQEMC-UHFFFAOYSA-N
MW342.87 g/mol
LogP5.07
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide

2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 53313403) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide
PubChem CID53313403
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccccc1N1CCCC1)c1ccccc1Cl
InChIInChI=1S/C20H23ClN2O/c1-2-15(16-9-3-4-10-17(16)21)20(24)22-18-11-5-6-12-19(18)23-13-7-8-14-23/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,22,24)
InChIKeyRPANVIVCJBQEMC-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 53313367
(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 50985951
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 107568445
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 53313363
2-(3,4-difluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 53313359
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8704518
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide (CID 53313403) is 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide is CCC(C(=O)Nc1ccccc1N1CCCC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is RPANVIVCJBQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-2-15(16-9-3-4-10-17(16)21)20(24)22-18-11-5-6-12-19(18)23-13-7-8-14-23/h3-6,9-12,15H,2,7-8,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide?
2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 342.87 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 53313403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).