2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid

C14H10BrFN2O3 — CID 115295936

IUPAC2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C14H10BrFN2O3/c15-12-6-5-10(7-11(12)13(19)20)18-14(21)17-9-3-1-8(16)2-4-9/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyDDOCOWDNRCSFRJ-UHFFFAOYSA-N
MW353.15 g/mol
LogP3.93
Rot. Bonds3

About 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid

2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid (PubChem CID 115295936) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid
PubChem CID115295936
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC Name2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C14H10BrFN2O3/c15-12-6-5-10(7-11(12)13(19)20)18-14(21)17-9-3-1-8(16)2-4-9/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyDDOCOWDNRCSFRJ-UHFFFAOYSA-N
XLogP3.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(4-methylphenyl)carbamoylamino]benzoic acid
CID 115295945
5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
2-bromo-5-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 115296659
3-bromo-2-[(4-fluorophenyl)carbamoylamino]benzoic acid
CID 63112803
2-bromo-5-[(3-fluorobenzoyl)amino]benzoic acid
CID 115295681
2-bromo-5-(propylcarbamoylamino)benzoic acid
CID 115295944
2-bromo-5-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 113281201
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
2-bromo-5-(2-methylpropanoylamino)benzoic acid
CID 115295746
2-bromo-5-(2,2-dimethylpropanoylamino)benzoic acid
CID 115295714
2-bromo-5-(dimethylcarbamoylamino)benzoic acid
CID 115295927
2-bromo-5-(prop-2-ynoylamino)benzoic acid
CID 115295796

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid (CID 115295936) is 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid is O=C(Nc1ccc(F)cc1)Nc1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid?
The InChIKey is DDOCOWDNRCSFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c15-12-6-5-10(7-11(12)13(19)20)18-14(21)17-9-3-1-8(16)2-4-9/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid?
2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid has a molecular weight of 353.15 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-fluorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 115295936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).