2-(4-chlorophenyl)-2-(2-methylanilino)propanamide

C16H17ClN2O — CID 60996438

IUPAC2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
SMILESCc1ccccc1NC(C)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-5-3-4-6-14(11)19-16(2,15(18)20)12-7-9-13(17)10-8-12/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyXYILMLDDYLISJD-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.46
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide

2-(4-chlorophenyl)-2-(2-methylanilino)propanamide (PubChem CID 60996438) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
PubChem CID60996438
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(4-chlorophenyl)-2-(2-methylanilino)propanamide
SMILESCc1ccccc1NC(C)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-5-3-4-6-14(11)19-16(2,15(18)20)12-7-9-13(17)10-8-12/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyXYILMLDDYLISJD-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-2-(2-methylanilino)propanamide
CID 60996311
2-(2-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996305
2-(2-chloroanilino)-2-phenylpropanamide
CID 54891167
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
CID 82956528
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(2-methoxyanilino)-2-(4-methylphenyl)propanamide
CID 60991724
2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
CID 60990825
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517
2-(2-chloroanilino)-2-(3-methoxyphenyl)propanamide
CID 60996698

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide (CID 60996438) is 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide is Cc1ccccc1NC(C)(C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide?
The InChIKey is XYILMLDDYLISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-5-3-4-6-14(11)19-16(2,15(18)20)12-7-9-13(17)10-8-12/h3-10,19H,1-2H3,(H2,18,20).
What are the key properties of 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide?
2-(4-chlorophenyl)-2-(2-methylanilino)propanamide has a molecular weight of 288.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(2-methylanilino)propanamide is sourced from PubChem (CID 60996438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).