2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide

C16H17ClN2O — CID 62488219

IUPAC2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
SMILESCc1ccc(NC(=O)C(C)(N)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-8-9-14(13(17)10-11)19-15(20)16(2,18)12-6-4-3-5-7-12/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyPVGYILZBMKHBEO-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.46
Rot. Bonds3

About 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide

2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide (PubChem CID 62488219) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
PubChem CID62488219
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
SMILESCc1ccc(NC(=O)C(C)(N)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-8-9-14(13(17)10-11)19-15(20)16(2,18)12-6-4-3-5-7-12/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyPVGYILZBMKHBEO-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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CID 62488230
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2-amino-N-(4-methoxy-2-methylphenyl)-2-phenylpropanamide
CID 62870992
2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide
CID 82695441
1-(2-chloro-4-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 91099991
2-amino-N-(2,3-difluorophenyl)-2-phenylpropanamide
CID 62488948
2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 116795046
2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide
CID 102805572
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
2-amino-N-(3,5-difluorophenyl)-2-phenylpropanamide
CID 62487163
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263865
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide (CID 62488219) is 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide is Cc1ccc(NC(=O)C(C)(N)c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide?
The InChIKey is PVGYILZBMKHBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-8-9-14(13(17)10-11)19-15(20)16(2,18)12-6-4-3-5-7-12/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide?
2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide has a molecular weight of 288.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide is sourced from PubChem (CID 62488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).