N-(3-bromo-2-methylphenyl)-2-fluorobenzamide

C14H11BrFNO — CID 66606524

IUPACN-(3-bromo-2-methylphenyl)-2-fluorobenzamide
SMILESCc1c(Br)cccc1NC(=O)c1ccccc1F
InChIInChI=1S/C14H11BrFNO/c1-9-11(15)6-4-8-13(9)17-14(18)10-5-2-3-7-12(10)16/h2-8H,1H3,(H,17,18)
InChIKeyNVGHNZUKFCKWNB-UHFFFAOYSA-N
MW308.15 g/mol
LogP4.15
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-2-fluorobenzamide

N-(3-bromo-2-methylphenyl)-2-fluorobenzamide (PubChem CID 66606524) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-fluorobenzamide
PubChem CID66606524
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC NameN-(3-bromo-2-methylphenyl)-2-fluorobenzamide
SMILESCc1c(Br)cccc1NC(=O)c1ccccc1F
InChIInChI=1S/C14H11BrFNO/c1-9-11(15)6-4-8-13(9)17-14(18)10-5-2-3-7-12(10)16/h2-8H,1H3,(H,17,18)
InChIKeyNVGHNZUKFCKWNB-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

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Related Compounds

3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580024
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
CID 113230260
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 107631048
2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid
CID 107627490
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
N-(2-bromo-6-fluorophenyl)-2-(methylamino)benzamide
CID 107601184
2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide
CID 107623964

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-fluorobenzamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-fluorobenzamide (CID 66606524) is N-(3-bromo-2-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-fluorobenzamide is Cc1c(Br)cccc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-fluorobenzamide?
The InChIKey is NVGHNZUKFCKWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-9-11(15)6-4-8-13(9)17-14(18)10-5-2-3-7-12(10)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(3-bromo-2-methylphenyl)-2-fluorobenzamide?
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide 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-bromo-2-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 66606524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).