2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide

C17H19ClN2O — CID 54809039

IUPAC2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-2-16(13-7-4-3-5-8-13)20-17(21)12-19-15-10-6-9-14(18)11-15/h3-11,16,19H,2,12H2,1H3,(H,20,21)
InChIKeyWNQQBPFUMWBJRO-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide

2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide (PubChem CID 54809039) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
PubChem CID54809039
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-2-16(13-7-4-3-5-8-13)20-17(21)12-19-15-10-6-9-14(18)11-15/h3-11,16,19H,2,12H2,1H3,(H,20,21)
InChIKeyWNQQBPFUMWBJRO-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide
CID 54835424
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54806636
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
2-(2,3-dichloroanilino)-N-(1-phenylpropyl)acetamide
CID 54815882
2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide
CID 54841739
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
CID 112841756
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
methyl 3-(3-chloroanilino)-2-phenylpropanoate
CID 64565623
1-(3-chloroanilino)propan-2-one
CID 21364413

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide (CID 54809039) is 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CNc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide?
The InChIKey is WNQQBPFUMWBJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-16(13-7-4-3-5-8-13)20-17(21)12-19-15-10-6-9-14(18)11-15/h3-11,16,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide?
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide has a molecular weight of 302.81 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 54809039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).