N-benzhydryl-2-bromo-4-fluorobenzamide

C20H15BrFNO — CID 9192491

IUPACN-benzhydryl-2-bromo-4-fluorobenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C20H15BrFNO/c21-18-13-16(22)11-12-17(18)20(24)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24)
InChIKeyVURBKYKUOOCCCC-UHFFFAOYSA-N
MW384.25 g/mol
LogP5.11
Rot. Bonds4

About N-benzhydryl-2-bromo-4-fluorobenzamide

N-benzhydryl-2-bromo-4-fluorobenzamide (PubChem CID 9192491) has the molecular formula C20H15BrFNO and a molecular weight of 384.25 g/mol. Its IUPAC name is N-benzhydryl-2-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-benzhydryl-2-bromo-4-fluorobenzamide
PubChem CID9192491
Molecular FormulaC20H15BrFNO
Molecular Weight384.25 g/mol
Exact Mass383.03
IUPAC NameN-benzhydryl-2-bromo-4-fluorobenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C20H15BrFNO/c21-18-13-16(22)11-12-17(18)20(24)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24)
InChIKeyVURBKYKUOOCCCC-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
N-[(4-fluorophenyl)-phenylmethyl]-2-iodobenzamide
CID 55594145
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-fluorobenzamide
CID 1315645
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-bromo-4-fluorobenzamide?
The IUPAC name of N-benzhydryl-2-bromo-4-fluorobenzamide (CID 9192491) is N-benzhydryl-2-bromo-4-fluorobenzamide.
What is the SMILES notation for N-benzhydryl-2-bromo-4-fluorobenzamide?
The canonical SMILES for N-benzhydryl-2-bromo-4-fluorobenzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1Br.
What is the InChIKey of N-benzhydryl-2-bromo-4-fluorobenzamide?
The InChIKey is VURBKYKUOOCCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFNO/c21-18-13-16(22)11-12-17(18)20(24)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24).
What are the key properties of N-benzhydryl-2-bromo-4-fluorobenzamide?
N-benzhydryl-2-bromo-4-fluorobenzamide has a molecular weight of 384.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-bromo-4-fluorobenzamide is sourced from PubChem (CID 9192491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).