3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide

C16H14BrClFNO — CID 107952881

IUPAC3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C16H14BrClFNO/c1-9-3-4-11(7-15(9)19)10(2)20-16(21)12-5-13(17)8-14(18)6-12/h3-8,10H,1-2H3,(H,20,21)
InChIKeyFLYRDQMIHWGELC-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.04
Rot. Bonds3

About 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide

3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide (PubChem CID 107952881) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide
PubChem CID107952881
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C16H14BrClFNO/c1-9-3-4-11(7-15(9)19)10(2)20-16(21)12-5-13(17)8-14(18)6-12/h3-8,10H,1-2H3,(H,20,21)
InChIKeyFLYRDQMIHWGELC-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide 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

3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107951925
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
2,5-dibromo-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-3-carboxamide
CID 107962299
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 107952277
3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
CID 107951852

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide (CID 107952881) is 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cc(Cl)cc(Br)c2)cc1F.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide?
The InChIKey is FLYRDQMIHWGELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-9-3-4-11(7-15(9)19)10(2)20-16(21)12-5-13(17)8-14(18)6-12/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide?
3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide has a molecular weight of 370.65 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 107952881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).