4-[(2-bromo-4-fluorophenyl)methylamino]benzamide

C14H12BrFN2O — CID 28576301

IUPAC4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H12BrFN2O/c15-13-7-11(16)4-1-10(13)8-18-12-5-2-9(3-6-12)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyFFWMBMMORRXARZ-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.30
Rot. Bonds4

About 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide

4-[(2-bromo-4-fluorophenyl)methylamino]benzamide (PubChem CID 28576301) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
PubChem CID28576301
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H12BrFN2O/c15-13-7-11(16)4-1-10(13)8-18-12-5-2-9(3-6-12)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyFFWMBMMORRXARZ-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide
CID 107095670
methyl 3-bromo-4-[(4-fluoroanilino)methyl]benzoate
CID 102766440
N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 28884630
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
CID 63333639
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625
2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide
CID 112673885

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide (CID 28576301) is 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide is NC(=O)c1ccc(NCc2ccc(F)cc2Br)cc1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide?
The InChIKey is FFWMBMMORRXARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-13-7-11(16)4-1-10(13)8-18-12-5-2-9(3-6-12)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide?
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide has a molecular weight of 323.17 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)methylamino]benzamide is sourced from PubChem (CID 28576301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).