(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide

C17H17ClN2O4 — CID 124557642

IUPAC(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-11(17(23)20-12-7-8-15(21)14(18)9-12)19-16(22)10-24-13-5-3-2-4-6-13/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)/t11-/m0/s1
InChIKeyVNTOKCWDRZQSDE-NSHDSACASA-N
MW348.79 g/mol
LogP2.57
Rot. Bonds6

About (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide

(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide (PubChem CID 124557642) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide
PubChem CID124557642
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-11(17(23)20-12-7-8-15(21)14(18)9-12)19-16(22)10-24-13-5-3-2-4-6-13/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)/t11-/m0/s1
InChIKeyVNTOKCWDRZQSDE-NSHDSACASA-N
XLogP2.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 4789688
(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 2450720
(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 9042312
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842680
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
(2R)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 94801580
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842322
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842308
N-(3-hydroxy-4-methylphenyl)-2-phenoxyacetamide
CID 837184
N-(3-fluoro-4-hydroxyphenyl)-2-phenoxyacetamide
CID 64780486

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide?
The IUPAC name of (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide (CID 124557642) is (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide is C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide?
The InChIKey is VNTOKCWDRZQSDE-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-11(17(23)20-12-7-8-15(21)14(18)9-12)19-16(22)10-24-13-5-3-2-4-6-13/h2-9,11,21H,10H2,1H3,(H,19,22)(H,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide?
(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide has a molecular weight of 348.79 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide is sourced from PubChem (CID 124557642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).