4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide

C14H10BrClFNO — CID 81307450

IUPAC4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8H2,(H,18,19)
InChIKeyPBAAOLRZKNMZSQ-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.17
Rot. Bonds3

About 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide

4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 81307450) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID81307450
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8H2,(H,18,19)
InChIKeyPBAAOLRZKNMZSQ-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
4-bromo-N-[(2-chlorophenyl)methyl]-3-hydroxybenzamide
CID 103830389
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 107999117
3-bromo-4-chloro-N-[(3-fluoro-2-methoxyphenyl)methyl]benzamide
CID 90720348
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
4-bromo-3-chloro-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 81307467

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide (CID 81307450) is 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide is O=C(NCc1ccccc1F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is PBAAOLRZKNMZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-11-6-5-9(7-12(11)16)14(19)18-8-10-3-1-2-4-13(10)17/h1-7H,8H2,(H,18,19).
What are the key properties of 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide?
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 342.60 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 81307450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).