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

C14H12BrFN2O — CID 55118828

IUPAC3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)c(N)c2)ccc1F
InChIInChI=1S/C14H12BrFN2O/c1-8-6-10(3-5-12(8)16)18-14(19)9-2-4-11(15)13(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeySNVBXQHFRJRYBP-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

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

3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide (PubChem CID 55118828) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
PubChem CID55118828
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)c(N)c2)ccc1F
InChIInChI=1S/C14H12BrFN2O/c1-8-6-10(3-5-12(8)16)18-14(19)9-2-4-11(15)13(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeySNVBXQHFRJRYBP-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

3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
3-amino-4-bromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 107813287
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide (CID 55118828) is 3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(Br)c(N)c2)ccc1F.
What is the InChIKey of 3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide?
The InChIKey is SNVBXQHFRJRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-6-10(3-5-12(8)16)18-14(19)9-2-4-11(15)13(17)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide?
3-amino-4-bromo-N-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 55118828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).