N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide

C18H21ClN2O — CID 109034461

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-12-4-6-15(7-5-12)20-9-8-17(22)21-18-14(3)10-13(2)11-16(18)19/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyNHSLJWJGQGRXID-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.71
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide (PubChem CID 109034461) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
PubChem CID109034461
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-12-4-6-15(7-5-12)20-9-8-17(22)21-18-14(3)10-13(2)11-16(18)19/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyNHSLJWJGQGRXID-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

N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109038875
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036983
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108955386

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide (CID 109034461) is N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide is Cc1ccc(NCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide?
The InChIKey is NHSLJWJGQGRXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-4-6-15(7-5-12)20-9-8-17(22)21-18-14(3)10-13(2)11-16(18)19/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)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-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide is sourced from PubChem (CID 109034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).