N-(3-bromophenyl)-4-fluoro-3-methylbenzamide

C14H11BrFNO — CID 63210603

IUPACN-(3-bromophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(Br)c2)ccc1F
InChIInChI=1S/C14H11BrFNO/c1-9-7-10(5-6-13(9)16)14(18)17-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,17,18)
InChIKeyWSHSFJIAOHWOFV-UHFFFAOYSA-N
MW308.15 g/mol
LogP4.15
Rot. Bonds2

About N-(3-bromophenyl)-4-fluoro-3-methylbenzamide

N-(3-bromophenyl)-4-fluoro-3-methylbenzamide (PubChem CID 63210603) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-fluoro-3-methylbenzamide
PubChem CID63210603
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC NameN-(3-bromophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(Br)c2)ccc1F
InChIInChI=1S/C14H11BrFNO/c1-9-7-10(5-6-13(9)16)14(18)17-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,17,18)
InChIKeyWSHSFJIAOHWOFV-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-bromophenyl)-4-fluoro-3-methylbenzamide 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

4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186774
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(3-bromophenyl)-4-fluoro-3-methylbenzamide (CID 63210603) is N-(3-bromophenyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3-bromophenyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2cccc(Br)c2)ccc1F.
What is the InChIKey of N-(3-bromophenyl)-4-fluoro-3-methylbenzamide?
The InChIKey is WSHSFJIAOHWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-9-7-10(5-6-13(9)16)14(18)17-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-4-fluoro-3-methylbenzamide?
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide has a molecular weight of 308.15 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63210603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).