N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide

C14H10BrFN2O2 — CID 108512623

IUPACN'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
SMILESO=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H10BrFN2O2/c15-9-2-1-3-12(8-9)18-14(20)13(19)17-11-6-4-10(16)5-7-11/h1-8H,(H,17,19)(H,18,20)
InChIKeyHIFRFGZNSNQYPV-UHFFFAOYSA-N
MW337.15 g/mol
LogP3.17
Rot. Bonds2

About N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide

N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide (PubChem CID 108512623) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
PubChem CID108512623
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC NameN'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
SMILESO=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H10BrFN2O2/c15-9-2-1-3-12(8-9)18-14(20)13(19)17-11-6-4-10(16)5-7-11/h1-8H,(H,17,19)(H,18,20)
InChIKeyHIFRFGZNSNQYPV-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651
N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108522076
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
N'-(4-amino-3-chlorophenyl)-N-(3-bromophenyl)oxamide
CID 108516155
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
N-(3-bromophenyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987680
O-[3-[(4-fluorophenyl)carbamoyl]phenyl] N-(3-bromophenyl)carbamothioate
CID 4273955

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide (CID 108512623) is N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide is O=C(Nc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide?
The InChIKey is HIFRFGZNSNQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-9-2-1-3-12(8-9)18-14(20)13(19)17-11-6-4-10(16)5-7-11/h1-8H,(H,17,19)(H,18,20).
What are the key properties of N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide?
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide has a molecular weight of 337.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 108512623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).