N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide

C18H21ClN2O — CID 109035866

IUPACN-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNc1c(C)cccc1C
InChIInChI=1S/C18H21ClN2O/c1-12-5-4-6-13(2)18(12)20-10-9-17(22)21-16-8-7-15(19)11-14(16)3/h4-8,11,20H,9-10H2,1-3H3,(H,21,22)
InChIKeyKTHPQFQVCCAFSN-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.71
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide

N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide (PubChem CID 109035866) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
PubChem CID109035866
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNc1c(C)cccc1C
InChIInChI=1S/C18H21ClN2O/c1-12-5-4-6-13(2)18(12)20-10-9-17(22)21-16-8-7-15(19)11-14(16)3/h4-8,11,20H,9-10H2,1-3H3,(H,21,22)
InChIKeyKTHPQFQVCCAFSN-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-(2,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035917
3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide (CID 109035866) is N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide is Cc1cc(Cl)ccc1NC(=O)CCNc1c(C)cccc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide?
The InChIKey is KTHPQFQVCCAFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-5-4-6-13(2)18(12)20-10-9-17(22)21-16-8-7-15(19)11-14(16)3/h4-8,11,20H,9-10H2,1-3H3,(H,21,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide?
N-(4-chloro-2-methylphenyl)-3-(2,6-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-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 109035866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).