N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide

C18H21ClN2O — CID 109036028

IUPACN-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
SMILESCc1cccc(NCCC(=O)Nc2cccc(Cl)c2C)c1C
InChIInChI=1S/C18H21ClN2O/c1-12-6-4-8-16(13(12)2)20-11-10-18(22)21-17-9-5-7-15(19)14(17)3/h4-9,20H,10-11H2,1-3H3,(H,21,22)
InChIKeyGPUSWFDWSDWKLO-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.71
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide

N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide (PubChem CID 109036028) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
PubChem CID109036028
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
SMILESCc1cccc(NCCC(=O)Nc2cccc(Cl)c2C)c1C
InChIInChI=1S/C18H21ClN2O/c1-12-6-4-8-16(13(12)2)20-11-10-18(22)21-17-9-5-7-15(19)14(17)3/h4-9,20H,10-11H2,1-3H3,(H,21,22)
InChIKeyGPUSWFDWSDWKLO-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036840
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide (CID 109036028) is N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide is Cc1cccc(NCCC(=O)Nc2cccc(Cl)c2C)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide?
The InChIKey is GPUSWFDWSDWKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-6-4-8-16(13(12)2)20-11-10-18(22)21-17-9-5-7-15(19)14(17)3/h4-9,20H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide?
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide is sourced from PubChem (CID 109036028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).