N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide

C15H14BrFN2O — CID 167871653

IUPACN-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)c(F)c1)c1ccc(CN)cc1
InChIInChI=1S/C15H14BrFN2O/c1-19(12-5-2-10(9-18)3-6-12)15(20)11-4-7-13(16)14(17)8-11/h2-8H,9,18H2,1H3
InChIKeyYEZADVHRWNAIEW-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.32
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide

N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide (PubChem CID 167871653) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
PubChem CID167871653
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Br)c(F)c1)c1ccc(CN)cc1
InChIInChI=1S/C15H14BrFN2O/c1-19(12-5-2-10(9-18)3-6-12)15(20)11-4-7-13(16)14(17)8-11/h2-8H,9,18H2,1H3
InChIKeyYEZADVHRWNAIEW-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
CID 28755656
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949854
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107734400
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
N-[3-(aminomethyl)phenyl]-4-bromo-3-fluorobenzamide
CID 63254166

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide (CID 167871653) is N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(Br)c(F)c1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide?
The InChIKey is YEZADVHRWNAIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-19(12-5-2-10(9-18)3-6-12)15(20)11-4-7-13(16)14(17)8-11/h2-8H,9,18H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide?
N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 167871653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).