N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide

C17H16ClFN2O3 — CID 30405257

IUPACN-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H16ClFN2O3/c1-10(11-3-5-12(19)6-4-11)20-16(22)17(23)21-13-7-8-15(24-2)14(18)9-13/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyKCIQZCKLMAPHQY-JTQLQIEISA-N
MW350.78 g/mol
LogP3.30
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide

N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide (PubChem CID 30405257) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
PubChem CID30405257
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H16ClFN2O3/c1-10(11-3-5-12(19)6-4-11)20-16(22)17(23)21-13-7-8-15(24-2)14(18)9-13/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyKCIQZCKLMAPHQY-JTQLQIEISA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
CID 43906812
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 95166112
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30404026
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401976
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108501268
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide (CID 30405257) is N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide is COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is KCIQZCKLMAPHQY-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-10(11-3-5-12(19)6-4-11)20-16(22)17(23)21-13-7-8-15(24-2)14(18)9-13/h3-10H,1-2H3,(H,20,22)(H,21,23)/t10-/m0/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide?
N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 350.78 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 30405257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).