2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide

C18H18BrFN2O2 — CID 34731927

IUPAC2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C18H18BrFN2O2/c1-11(2)10-21-17(23)13-5-3-4-6-16(13)22-18(24)14-9-12(20)7-8-15(14)19/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAQWFCHFVRCRPMY-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.23
Rot. Bonds5

About 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide

2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide (PubChem CID 34731927) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
PubChem CID34731927
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC Name2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C18H18BrFN2O2/c1-11(2)10-21-17(23)13-5-3-4-6-16(13)22-18(24)14-9-12(20)7-8-15(14)19/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAQWFCHFVRCRPMY-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
7-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86920168
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide (CID 34731927) is 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The InChIKey is AQWFCHFVRCRPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-11(2)10-21-17(23)13-5-3-4-6-16(13)22-18(24)14-9-12(20)7-8-15(14)19/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide has a molecular weight of 393.26 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 34731927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).