2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide

C17H19ClN2O — CID 107634761

IUPAC2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-11-4-7-14(8-5-11)20-17(21)13(3)19-16-10-12(2)6-9-15(16)18/h4-10,13,19H,1-3H3,(H,20,21)
InChIKeyFZWNCWFPCKXMRB-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds4

About 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide

2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 107634761) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
PubChem CID107634761
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Nc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-11-4-7-14(8-5-11)20-17(21)13(3)19-16-10-12(2)6-9-15(16)18/h4-10,13,19H,1-3H3,(H,20,21)
InChIKeyFZWNCWFPCKXMRB-UHFFFAOYSA-N
XLogP4.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002
2-(2-chloro-4-iodoanilino)-N-(4-methylphenyl)propanamide
CID 107606620
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide
CID 107634612
N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
CID 17428772
2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
CID 7986637
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide (CID 107634761) is 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Nc2cc(C)ccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is FZWNCWFPCKXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-4-7-14(8-5-11)20-17(21)13(3)19-16-10-12(2)6-9-15(16)18/h4-10,13,19H,1-3H3,(H,20,21).
What are the key properties of 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide?
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 302.81 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 107634761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).