2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide

C16H17ClN2O — CID 43122671

IUPAC2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)C(N)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-15(13(17)9-11)19-16(20)14(18)10-12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20)
InChIKeyNCHXKEMKRMTLHJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide

2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide (PubChem CID 43122671) 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)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
PubChem CID43122671
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)C(N)Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-15(13(17)9-11)19-16(20)14(18)10-12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20)
InChIKeyNCHXKEMKRMTLHJ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
N-(2-chloro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107022021
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide
CID 61180359
(2R)-2-amino-N-(4-bromo-2-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904692
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
CID 61148146

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide (CID 43122671) is 2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide is Cc1ccc(NC(=O)C(N)Cc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is NCHXKEMKRMTLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-7-8-15(13(17)9-11)19-16(20)14(18)10-12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide?
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide has a molecular weight of 288.78 g/mol, XLogP of 3.16, 4 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)-3-phenylpropanamide is sourced from PubChem (CID 43122671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).