(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide

C18H19ClN2O3 — CID 6667382

IUPAC(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c19-15-8-6-14(7-9-15)11-20-18(24)16(12-22)21-17(23)10-13-4-2-1-3-5-13/h1-9,16,22H,10-12H2,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyKCALHICMELMEBE-INIZCTEOSA-N
MW346.81 g/mol
LogP1.68
Rot. Bonds7

About (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide

(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide (PubChem CID 6667382) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
PubChem CID6667382
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c19-15-8-6-14(7-9-15)11-20-18(24)16(12-22)21-17(23)10-13-4-2-1-3-5-13/h1-9,16,22H,10-12H2,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyKCALHICMELMEBE-INIZCTEOSA-N
XLogP1.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
CID 4990311
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
(4S)-5-(benzylamino)-4-[[2-(2,4-dichlorophenyl)acetyl]amino]-5-oxopentanoic acid
CID 177371450
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 6667383
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide (CID 6667382) is (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide?
The InChIKey is KCALHICMELMEBE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-15-8-6-14(7-9-15)11-20-18(24)16(12-22)21-17(23)10-13-4-2-1-3-5-13/h1-9,16,22H,10-12H2,(H,20,24)(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide?
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide has a molecular weight of 346.81 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 6667382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).