4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide

C15H13BrClFN2O — CID 102664164

IUPAC4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(CNCc2cc(F)ccc2Br)c(Cl)c1
InChIInChI=1S/C15H13BrClFN2O/c16-13-4-3-12(18)5-11(13)8-20-7-10-2-1-9(15(19)21)6-14(10)17/h1-6,20H,7-8H2,(H2,19,21)
InChIKeyBKDIYHWOLBIGLZ-UHFFFAOYSA-N
MW371.64 g/mol
LogP3.63
Rot. Bonds5

About 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide

4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide (PubChem CID 102664164) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
PubChem CID102664164
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC Name4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(CNCc2cc(F)ccc2Br)c(Cl)c1
InChIInChI=1S/C15H13BrClFN2O/c16-13-4-3-12(18)5-11(13)8-20-7-10-2-1-9(15(19)21)6-14(10)17/h1-6,20H,7-8H2,(H2,19,21)
InChIKeyBKDIYHWOLBIGLZ-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
CID 102664463
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
CID 107598781
3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
CID 103866343
4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
CID 102663836
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548854
4-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-3-chlorobenzamide
CID 106046852
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide
CID 106010810

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide?
The IUPAC name of 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide (CID 102664164) is 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide is NC(=O)c1ccc(CNCc2cc(F)ccc2Br)c(Cl)c1.
What is the InChIKey of 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide?
The InChIKey is BKDIYHWOLBIGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c16-13-4-3-12(18)5-11(13)8-20-7-10-2-1-9(15(19)21)6-14(10)17/h1-6,20H,7-8H2,(H2,19,21).
What are the key properties of 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide?
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide has a molecular weight of 371.64 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide is sourced from PubChem (CID 102664164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).