N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide

C14H10BrFN2O2 — CID 2985483

IUPACN-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O2/c15-10-6-7-12(11(16)8-10)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
InChIKeyHCXRBTLEWRDMOP-UHFFFAOYSA-N
MW337.15 g/mol
LogP3.55
Rot. Bonds2

About N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide

N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide (PubChem CID 2985483) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
PubChem CID2985483
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC NameN-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O2/c15-10-6-7-12(11(16)8-10)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
InChIKeyHCXRBTLEWRDMOP-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
3-bromo-N-[(4-bromo-2-fluorophenyl)carbamothioyl]benzamide
CID 22779598
N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
CID 43246939
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 19629523
N-(4-bromo-2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956612
5-[(4-bromo-2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62941863
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide (CID 2985483) is N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide?
The InChIKey is HCXRBTLEWRDMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-10-6-7-12(11(16)8-10)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20).
What are the key properties of N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide?
N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide has a molecular weight of 337.15 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide is sourced from PubChem (CID 2985483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).