3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide

C18H21ClN2O — CID 109030837

IUPAC3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCNc1ccccc1Cl)NCCCc1ccccc1
InChIInChI=1S/C18H21ClN2O/c19-16-10-4-5-11-17(16)20-14-12-18(22)21-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,20H,6,9,12-14H2,(H,21,22)
InChIKeyGDOBNUMJEJWMNK-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.89
Rot. Bonds8

About 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide

3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide (PubChem CID 109030837) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide
PubChem CID109030837
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCNc1ccccc1Cl)NCCCc1ccccc1
InChIInChI=1S/C18H21ClN2O/c19-16-10-4-5-11-17(16)20-14-12-18(22)21-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,20H,6,9,12-14H2,(H,21,22)
InChIKeyGDOBNUMJEJWMNK-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.89
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

3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide
CID 10689987
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
CID 109027992
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975
2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
CID 8604337

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide (CID 109030837) is 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide is O=C(CCNc1ccccc1Cl)NCCCc1ccccc1.
What is the InChIKey of 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide?
The InChIKey is GDOBNUMJEJWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-16-10-4-5-11-17(16)20-14-12-18(22)21-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,20H,6,9,12-14H2,(H,21,22).
What are the key properties of 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide?
3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 109030837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).