2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide

C14H12BrFN2O — CID 43245616

IUPAC2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2N)c(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-2-5-13(11(15)6-8)18-14(19)10-7-9(16)3-4-12(10)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyQNMNFICPSFOHEN-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide

2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide (PubChem CID 43245616) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
PubChem CID43245616
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2N)c(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-2-5-13(11(15)6-8)18-14(19)10-7-9(16)3-4-12(10)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyQNMNFICPSFOHEN-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

N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
CID 60954882
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)-5-methylbenzamide
CID 82683771
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide (CID 43245616) is 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide is Cc1ccc(NC(=O)c2cc(F)ccc2N)c(Br)c1.
What is the InChIKey of 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide?
The InChIKey is QNMNFICPSFOHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-2-5-13(11(15)6-8)18-14(19)10-7-9(16)3-4-12(10)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide?
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide 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 2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 43245616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).