N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide

C14H19ClN2O — CID 110688132

IUPACN-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c15-13-6-2-1-5-12(13)11-16-14(18)7-10-17-8-3-4-9-17/h1-2,5-6H,3-4,7-11H2,(H,16,18)
InChIKeyQGIBJWQMXRCOSM-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.44
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide

N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 110688132) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID110688132
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)NCc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c15-13-6-2-1-5-12(13)11-16-14(18)7-10-17-8-3-4-9-17/h1-2,5-6H,3-4,7-11H2,(H,16,18)
InChIKeyQGIBJWQMXRCOSM-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760417
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(2-chlorophenyl)methyl]-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896187
N-[(2-chlorophenyl)methyl]-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanamide
CID 86774926
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[(2-chlorophenyl)methyl]-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 97238222
N-[(2-chlorophenyl)methyl]-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 75386560
3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626
3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 56525206

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide (CID 110688132) is N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is QGIBJWQMXRCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-6-2-1-5-12(13)11-16-14(18)7-10-17-8-3-4-9-17/h1-2,5-6H,3-4,7-11H2,(H,16,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide?
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 266.77 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 110688132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).