N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide

C14H12BrFN2O — CID 24700004

IUPACN-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2F)cc1N
InChIInChI=1S/C14H12BrFN2O/c1-8-2-4-10(7-13(8)17)18-14(19)11-6-9(15)3-5-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLPRCOUYJOUTFEP-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide

N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide (PubChem CID 24700004) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
PubChem CID24700004
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(Br)ccc2F)cc1N
InChIInChI=1S/C14H12BrFN2O/c1-8-2-4-10(7-13(8)17)18-14(19)11-6-9(15)3-5-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLPRCOUYJOUTFEP-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

5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
CID 43548023
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide (CID 24700004) is N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide is Cc1ccc(NC(=O)c2cc(Br)ccc2F)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide?
The InChIKey is LPRCOUYJOUTFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-2-4-10(7-13(8)17)18-14(19)11-6-9(15)3-5-12(11)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide?
N-(3-amino-4-methylphenyl)-5-bromo-2-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 N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 24700004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).