2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide

C14H10BrClFNO — CID 9209881

IUPAC2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(F)cc1Br
InChIInChI=1S/C14H10BrClFNO/c15-13-7-11(17)4-5-12(13)14(19)18-8-9-2-1-3-10(16)6-9/h1-7H,8H2,(H,18,19)
InChIKeyWFEKNTGZNBLVPV-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.17
Rot. Bonds3

About 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide

2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide (PubChem CID 9209881) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
PubChem CID9209881
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(F)cc1Br
InChIInChI=1S/C14H10BrClFNO/c15-13-7-11(17)4-5-12(13)14(19)18-8-9-2-1-3-10(16)6-9/h1-7H,8H2,(H,18,19)
InChIKeyWFEKNTGZNBLVPV-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

Analyze 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-bromo-4-chloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 103765522
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide
CID 17493855
N-[[3-(bromomethyl)phenyl]methyl]-2-chloro-4-fluorobenzamide
CID 114312951
2-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-fluorobenzamide
CID 47043729
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
2-bromo-N-[(3-carbamothioylphenyl)methyl]-4-chlorobenzamide
CID 107987788
2-bromo-5-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292162

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide (CID 9209881) is 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide is O=C(NCc1cccc(Cl)c1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide?
The InChIKey is WFEKNTGZNBLVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-13-7-11(17)4-5-12(13)14(19)18-8-9-2-1-3-10(16)6-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide?
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide 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 2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 9209881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).