2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide

C16H14ClNO3 — CID 10380279

IUPAC2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide
SMILESO=C(NOCc1ccccc1)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-14(15(19)13-9-5-2-6-10-13)16(20)18-21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20)
InChIKeySGAJKESNUCLFTC-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.72
Rot. Bonds6

About 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide

2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide (PubChem CID 10380279) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide
PubChem CID10380279
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide
SMILESO=C(NOCc1ccccc1)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-14(15(19)13-9-5-2-6-10-13)16(20)18-21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20)
InChIKeySGAJKESNUCLFTC-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
methyl 4-(2-chloro-3-oxo-3-phenylmethoxypropanoyl)benzoate
CID 86760570
2,3,4-trihydroxy-N-phenylmethoxybutanamide
CID 130149986
2-bromo-3-methyl-N-phenylmethoxybutanamide
CID 64974144
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide?
The IUPAC name of 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide (CID 10380279) is 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide.
What is the SMILES notation for 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide?
The canonical SMILES for 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide is O=C(NOCc1ccccc1)C(Cl)C(=O)c1ccccc1.
What is the InChIKey of 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide?
The InChIKey is SGAJKESNUCLFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14(15(19)13-9-5-2-6-10-13)16(20)18-21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20).
What are the key properties of 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide?
2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide has a molecular weight of 303.75 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide is sourced from PubChem (CID 10380279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).