3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide

C18H21ClN2O — CID 109036591

IUPAC3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-3-14-8-6-7-13(2)18(14)21-17(22)11-12-20-16-10-5-4-9-15(16)19/h4-10,20H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyAMIOWICRBHVJKZ-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.65
Rot. Bonds6

About 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide

3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 109036591) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID109036591
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-3-14-8-6-7-13(2)18(14)21-17(22)11-12-20-16-10-5-4-9-15(16)19/h4-10,20H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyAMIOWICRBHVJKZ-UHFFFAOYSA-N
XLogP4.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
2-(2,3-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 54815902
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
methyl 4-chloro-3-[3-(2-ethyl-6-methylanilino)propanoylamino]benzoate
CID 109036674
N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
CID 109036681
N-(2-chlorophenyl)-2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434312
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(2-ethyl-6-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 109036653
3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
CID 109021543
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113127103

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide (CID 109036591) is 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCNc1ccccc1Cl.
What is the InChIKey of 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is AMIOWICRBHVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-3-14-8-6-7-13(2)18(14)21-17(22)11-12-20-16-10-5-4-9-15(16)19/h4-10,20H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide?
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 109036591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).