3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide

C16H16Cl2N2O2 — CID 109037877

IUPAC3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-22-15-7-6-11(10-13(15)18)20-16(21)8-9-19-14-5-3-2-4-12(14)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyGSHBJJBRQDCPGM-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.44
Rot. Bonds6

About 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide

3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 109037877) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID109037877
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-22-15-7-6-11(10-13(15)18)20-16(21)8-9-19-14-5-3-2-4-12(14)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyGSHBJJBRQDCPGM-UHFFFAOYSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109038974
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039007
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 109036116
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
methyl 4-[3-(3-chloro-4-methoxyanilino)propanoylamino]benzoate
CID 109039039

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (CID 109037877) is 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2ccccc2Cl)cc1Cl.
What is the InChIKey of 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is GSHBJJBRQDCPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-22-15-7-6-11(10-13(15)18)20-16(21)8-9-19-14-5-3-2-4-12(14)17/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 339.22 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 109037877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).