N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide

C17H16ClFN2O3 — CID 95368093

IUPACN'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
SMILESC[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16ClFN2O3/c1-17(24,11-5-3-2-4-6-11)10-20-15(22)16(23)21-12-7-8-14(19)13(18)9-12/h2-9,24H,10H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyYNFTUBZBYIQHRY-QGZVFWFLSA-N
MW350.78 g/mol
LogP2.44
Rot. Bonds4

About N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide

N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide (PubChem CID 95368093) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
PubChem CID95368093
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
SMILESC[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16ClFN2O3/c1-17(24,11-5-3-2-4-6-11)10-20-15(22)16(23)21-12-7-8-14(19)13(18)9-12/h2-9,24H,10H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyYNFTUBZBYIQHRY-QGZVFWFLSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 95983710
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523212
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 99872764
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
CID 111335829
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxyethyl)oxamide
CID 7585032
N'-(3-chloro-4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 90523603
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide (CID 95368093) is N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide is C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide?
The InChIKey is YNFTUBZBYIQHRY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-17(24,11-5-3-2-4-6-11)10-20-15(22)16(23)21-12-7-8-14(19)13(18)9-12/h2-9,24H,10H2,1H3,(H,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide has a molecular weight of 350.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide is sourced from PubChem (CID 95368093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).