(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide

C18H19ClN2O3 — CID 2450720

IUPAC(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-13(18(23)20-11-14-7-5-6-10-16(14)19)21-17(22)12-24-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyGAGQTNNESSKCHX-ZDUSSCGKSA-N
MW346.81 g/mol
LogP2.54
Rot. Bonds7

About (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide

(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide (PubChem CID 2450720) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
PubChem CID2450720
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-13(18(23)20-11-14-7-5-6-10-16(14)19)21-17(22)12-24-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyGAGQTNNESSKCHX-ZDUSSCGKSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 7893515
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 2566489
(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 124557642
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842112
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 9142893
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213172
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
CID 110348322

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide?
The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide (CID 2450720) is (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide is C[C@H](NC(=O)COc1ccccc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide?
The InChIKey is GAGQTNNESSKCHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(18(23)20-11-14-7-5-6-10-16(14)19)21-17(22)12-24-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide?
(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide has a molecular weight of 346.81 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide is sourced from PubChem (CID 2450720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).