3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide

C16H16Cl2N2O — CID 109037798

IUPAC3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
SMILESCc1ccc(NCCC(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-11-6-7-12(10-14(11)18)19-9-8-16(21)20-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyPSGAUTRNDHNBCI-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.74
Rot. Bonds5

About 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide

3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide (PubChem CID 109037798) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
PubChem CID109037798
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
SMILESCc1ccc(NCCC(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-11-6-7-12(10-14(11)18)19-9-8-16(21)20-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyPSGAUTRNDHNBCI-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
methyl 3-[3-(3-chloro-4-methylanilino)propanoylamino]benzoate
CID 109038691

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide (CID 109037798) is 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide is Cc1ccc(NCCC(=O)Nc2ccccc2Cl)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide?
The InChIKey is PSGAUTRNDHNBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11-6-7-12(10-14(11)18)19-9-8-16(21)20-15-5-3-2-4-13(15)17/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide?
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide has a molecular weight of 323.22 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 109037798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).