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

C14H12BrFN2O — CID 103807594

IUPACN-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-12(16)11(15)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyYUSZQROBBLCKQQ-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

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

N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide (PubChem CID 103807594) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
PubChem CID103807594
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-12(16)11(15)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyYUSZQROBBLCKQQ-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

4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
CID 81290329
3-bromo-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 107951971
N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
CID 102739332
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide (CID 103807594) is N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide is Cc1cc(N)ccc1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide?
The InChIKey is YUSZQROBBLCKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-12(16)11(15)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide?
N-(4-amino-2-methylphenyl)-3-bromo-4-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-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 103807594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).