N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide

C17H19ClN2O2 — CID 86979645

IUPACN-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCCC(NC(=O)CCn1ccccc1=O)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-2-15(13-6-5-7-14(18)12-13)19-16(21)9-11-20-10-4-3-8-17(20)22/h3-8,10,12,15H,2,9,11H2,1H3,(H,19,21)
InChIKeyLALDTYFINQBVTM-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.16
Rot. Bonds6

About N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide

N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 86979645) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID86979645
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCCC(NC(=O)CCn1ccccc1=O)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-2-15(13-6-5-7-14(18)12-13)19-16(21)9-11-20-10-4-3-8-17(20)22/h3-8,10,12,15H,2,9,11H2,1H3,(H,19,21)
InChIKeyLALDTYFINQBVTM-UHFFFAOYSA-N
XLogP3.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
CID 60849558
N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 95690788
1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897772
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 134035226
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
N-[1-(3-chlorophenyl)propyl]-2-(1H-indol-3-yl)acetamide
CID 46463279
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide (CID 86979645) is N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide is CCC(NC(=O)CCn1ccccc1=O)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is LALDTYFINQBVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-15(13-6-5-7-14(18)12-13)19-16(21)9-11-20-10-4-3-8-17(20)22/h3-8,10,12,15H,2,9,11H2,1H3,(H,19,21).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 318.80 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 86979645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).