2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide

C16H17ClN2O — CID 24706399

IUPAC2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c17-14-9-5-4-8-13(14)11-19-16(20)15(18)10-12-6-2-1-3-7-12/h1-9,15H,10-11,18H2,(H,19,20)
InChIKeySLOIUVXIWTUXAX-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide

2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide (PubChem CID 24706399) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
PubChem CID24706399
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c17-14-9-5-4-8-13(14)11-19-16(20)15(18)10-12-6-2-1-3-7-12/h1-9,15H,10-11,18H2,(H,19,20)
InChIKeySLOIUVXIWTUXAX-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 5049229
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
CID 104941410
(2S)-2-amino-3-(2-chlorophenyl)propanoic acid;(2S)-2-amino-3-(3-chlorophenyl)propanoic acid;(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 160968473

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide (CID 24706399) is 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is SLOIUVXIWTUXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-14-9-5-4-8-13(14)11-19-16(20)15(18)10-12-6-2-1-3-7-12/h1-9,15H,10-11,18H2,(H,19,20).
What are the key properties of 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 288.78 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 24706399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).