3-(3-chloroanilino)-N-phenylpropanamide

C15H15ClN2O — CID 109033817

IUPAC3-(3-chloroanilino)-N-phenylpropanamide
SMILESO=C(CCNc1cccc(Cl)c1)Nc1ccccc1
InChIInChI=1S/C15H15ClN2O/c16-12-5-4-8-14(11-12)17-10-9-15(19)18-13-6-2-1-3-7-13/h1-8,11,17H,9-10H2,(H,18,19)
InChIKeyFGPOCSSSEDZAMC-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.78
Rot. Bonds5

About 3-(3-chloroanilino)-N-phenylpropanamide

3-(3-chloroanilino)-N-phenylpropanamide (PubChem CID 109033817) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-(3-chloroanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-chloroanilino)-N-phenylpropanamide
PubChem CID109033817
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-(3-chloroanilino)-N-phenylpropanamide
SMILESO=C(CCNc1cccc(Cl)c1)Nc1ccccc1
InChIInChI=1S/C15H15ClN2O/c16-12-5-4-8-14(11-12)17-10-9-15(19)18-13-6-2-1-3-7-13/h1-8,11,17H,9-10H2,(H,18,19)
InChIKeyFGPOCSSSEDZAMC-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloroanilino)-N-(4-phenoxyphenyl)propanamide
CID 109038068
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
CID 109038091
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094
N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
CID 109037963
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-N-phenylpropanamide?
The IUPAC name of 3-(3-chloroanilino)-N-phenylpropanamide (CID 109033817) is 3-(3-chloroanilino)-N-phenylpropanamide.
What is the SMILES notation for 3-(3-chloroanilino)-N-phenylpropanamide?
The canonical SMILES for 3-(3-chloroanilino)-N-phenylpropanamide is O=C(CCNc1cccc(Cl)c1)Nc1ccccc1.
What is the InChIKey of 3-(3-chloroanilino)-N-phenylpropanamide?
The InChIKey is FGPOCSSSEDZAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-12-5-4-8-14(11-12)17-10-9-15(19)18-13-6-2-1-3-7-13/h1-8,11,17H,9-10H2,(H,18,19).
What are the key properties of 3-(3-chloroanilino)-N-phenylpropanamide?
3-(3-chloroanilino)-N-phenylpropanamide has a molecular weight of 274.75 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-N-phenylpropanamide is sourced from PubChem (CID 109033817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).