4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide

C15H14BrFN2O — CID 62680598

IUPAC4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H14BrFN2O/c1-19(9-10-2-5-12(16)6-3-10)15(20)11-4-7-14(18)13(17)8-11/h2-8H,9,18H2,1H3
InChIKeyRVOVHETYNHGQMB-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.44
Rot. Bonds3

About 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide

4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide (PubChem CID 62680598) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
PubChem CID62680598
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C15H14BrFN2O/c1-19(9-10-2-5-12(16)6-3-10)15(20)11-4-7-14(18)13(17)8-11/h2-8H,9,18H2,1H3
InChIKeyRVOVHETYNHGQMB-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide (CID 62680598) is 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide is CN(Cc1ccc(Br)cc1)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide?
The InChIKey is RVOVHETYNHGQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-19(9-10-2-5-12(16)6-3-10)15(20)11-4-7-14(18)13(17)8-11/h2-8H,9,18H2,1H3.
What are the key properties of 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide?
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 62680598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).