3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide

C14H12BrFN2O — CID 61093746

IUPAC3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(N)c2)c(F)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-2-5-13(11(16)6-8)18-14(19)9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyTTYWQSPLZQFEOV-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide

3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide (PubChem CID 61093746) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
PubChem CID61093746
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(N)c2)c(F)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-2-5-13(11(16)6-8)18-14(19)9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyTTYWQSPLZQFEOV-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-4-bromobenzoyl)amino]-5-methylbenzoic acid
CID 107812978
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
3-amino-4-bromo-N-(4-methyl-2-nitrophenyl)benzamide
CID 107812904
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide (CID 61093746) is 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)c(F)c1.
What is the InChIKey of 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide?
The InChIKey is TTYWQSPLZQFEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-2-5-13(11(16)6-8)18-14(19)9-3-4-10(15)12(17)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide?
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide has a molecular weight of 323.17 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 61093746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).