N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide

C17H15ClFN3O3 — CID 46199606

IUPACN'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide
SMILESCNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H15ClFN3O3/c1-20-15(23)11-4-2-10(3-5-11)9-21-16(24)17(25)22-12-6-7-13(18)14(19)8-12/h2-8H,9H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyAOZFCTFZUDZXRP-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.09
Rot. Bonds4

About N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide (PubChem CID 46199606) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide
PubChem CID46199606
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide
SMILESCNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H15ClFN3O3/c1-20-15(23)11-4-2-10(3-5-11)9-21-16(24)17(25)22-12-6-7-13(18)14(19)8-12/h2-8H,9H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyAOZFCTFZUDZXRP-UHFFFAOYSA-N
XLogP2.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.09
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'-(4-amino-3-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108516187
1-(4-chloro-3-fluorophenyl)-3-[[4-[[(4-chloro-3-fluorophenyl)carbamothioylamino]methyl]phenyl]methyl]thiourea
CID 2421054
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
N'-(4-chloro-3-fluorophenyl)-N-[(E)-3-(methylamino)-2-prop-1-en-2-ylbut-2-enyl]oxamide
CID 89065894
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121499

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide (CID 46199606) is N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide is CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide?
The InChIKey is AOZFCTFZUDZXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c1-20-15(23)11-4-2-10(3-5-11)9-21-16(24)17(25)22-12-6-7-13(18)14(19)8-12/h2-8H,9H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide?
N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide has a molecular weight of 363.78 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]oxamide is sourced from PubChem (CID 46199606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).