4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide

C12H13BrFNO — CID 103722151

IUPAC4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H13BrFNO/c1-12(4-5-12)7-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyQQHSMHOFADMVIP-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.12
Rot. Bonds3

About 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide

4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide (PubChem CID 103722151) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
PubChem CID103722151
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H13BrFNO/c1-12(4-5-12)7-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyQQHSMHOFADMVIP-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
2-fluoro-N-[(1-methylcyclopropyl)methyl]-4-sulfamoylbenzamide
CID 113346358
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 119404145
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide (CID 103722151) is 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide is CC1(CNC(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide?
The InChIKey is QQHSMHOFADMVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-12(4-5-12)7-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide?
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide has a molecular weight of 286.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103722151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).