(2R)-2-chloro-3-oxo-N-phenylbutanamide

C10H10ClNO2 — CID 737830

IUPAC(2R)-2-chloro-3-oxo-N-phenylbutanamide
SMILESCC(=O)[C@@H](Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C10H10ClNO2/c1-7(13)9(11)10(14)12-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,14)/t9-/m1/s1
InChIKeyLBHYOONLWAWEAA-SECBINFHSA-N
MW211.65 g/mol
LogP1.82
Rot. Bonds3

About (2R)-2-chloro-3-oxo-N-phenylbutanamide

(2R)-2-chloro-3-oxo-N-phenylbutanamide (PubChem CID 737830) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (2R)-2-chloro-3-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-chloro-3-oxo-N-phenylbutanamide
PubChem CID737830
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(2R)-2-chloro-3-oxo-N-phenylbutanamide
SMILESCC(=O)[C@@H](Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C10H10ClNO2/c1-7(13)9(11)10(14)12-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,14)/t9-/m1/s1
InChIKeyLBHYOONLWAWEAA-SECBINFHSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
CID 2778503
(2S)-2,4-dichloro-3-oxo-N-phenylbutanamide
CID 98058305
2,4-diacetyl-N,N'-diphenylpentanediamide
CID 5218868
2-methyl-N-phenylpentanamide
CID 4627801
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
(2R)-2-amino-N-phenylpropanamide
CID 10607114
cobalt;N-phenylacetamide
CID 158689050
(2S)-2-(chloroamino)-3-methyl-N-phenylbutanamide
CID 88902411
(1-acetyloxy-2-anilino-2-oxoethyl) acetate
CID 177149111
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
CID 4736856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-3-oxo-N-phenylbutanamide?
The IUPAC name of (2R)-2-chloro-3-oxo-N-phenylbutanamide (CID 737830) is (2R)-2-chloro-3-oxo-N-phenylbutanamide.
What is the SMILES notation for (2R)-2-chloro-3-oxo-N-phenylbutanamide?
The canonical SMILES for (2R)-2-chloro-3-oxo-N-phenylbutanamide is CC(=O)[C@@H](Cl)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-chloro-3-oxo-N-phenylbutanamide?
The InChIKey is LBHYOONLWAWEAA-SECBINFHSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7(13)9(11)10(14)12-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of (2R)-2-chloro-3-oxo-N-phenylbutanamide?
(2R)-2-chloro-3-oxo-N-phenylbutanamide has a molecular weight of 211.65 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-3-oxo-N-phenylbutanamide is sourced from PubChem (CID 737830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).