3-[(3-chloro-4-phenylphenyl)methylamino]propanamide

C16H17ClN2O — CID 126970798

IUPAC3-[(3-chloro-4-phenylphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c17-15-10-12(11-19-9-8-16(18)20)6-7-14(15)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2,(H2,18,20)
InChIKeyZYJVPHMDRCBKBZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.97
Rot. Bonds6

About 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide

3-[(3-chloro-4-phenylphenyl)methylamino]propanamide (PubChem CID 126970798) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(3-chloro-4-phenylphenyl)methylamino]propanamide
PubChem CID126970798
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-[(3-chloro-4-phenylphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c17-15-10-12(11-19-9-8-16(18)20)6-7-14(15)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2,(H2,18,20)
InChIKeyZYJVPHMDRCBKBZ-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide
CID 947860
N,N'-bis[(4-chlorophenyl)methyl]propanediamide
CID 2404770
N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide
CID 46890911
N-[[2-(3-chlorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 46890960
2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 53319717
N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137649161
N-(2-chlorobenzyl)-4-phenylbutanamide
CID 885815
N-[1-[4-[2-(2-chloro-4-methylphenyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 68191417
N-[1-[4-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]acetamide
CID 118940229
3-[3-[(3-Chloranyl-4-Phenyl-Phenyl)methylamino]propylamino]-3-Oxidanylidene-Propanoic Acid
CID 126970797
3-(2-chlorophenyl)-N-(4-methylbenzyl)acrylamide
CID 875553
N-[(2-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782252

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide?
The IUPAC name of 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide (CID 126970798) is 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide?
The canonical SMILES for 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide is NC(=O)CCNCc1ccc(-c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide?
The InChIKey is ZYJVPHMDRCBKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-10-12(11-19-9-8-16(18)20)6-7-14(15)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2,(H2,18,20).
What are the key properties of 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide?
3-[(3-chloro-4-phenylphenyl)methylamino]propanamide has a molecular weight of 288.78 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-phenylphenyl)methylamino]propanamide is sourced from PubChem (CID 126970798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).