N-[(2-bromophenyl)methyl]-2-fluorobenzamide

C14H11BrFNO — CID 17173440

IUPACN-[(2-bromophenyl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C14H11BrFNO/c15-12-7-3-1-5-10(12)9-17-14(18)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
InChIKeySXYKONFIJGRWND-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.52
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2-fluorobenzamide

N-[(2-bromophenyl)methyl]-2-fluorobenzamide (PubChem CID 17173440) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-fluorobenzamide
PubChem CID17173440
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC NameN-[(2-bromophenyl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C14H11BrFNO/c15-12-7-3-1-5-10(12)9-17-14(18)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
InChIKeySXYKONFIJGRWND-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
CID 55025566
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
CID 107074846
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388066
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-fluorobenzamide (CID 17173440) is N-[(2-bromophenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-fluorobenzamide is O=C(NCc1ccccc1Br)c1ccccc1F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-fluorobenzamide?
The InChIKey is SXYKONFIJGRWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c15-12-7-3-1-5-10(12)9-17-14(18)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18).
What are the key properties of N-[(2-bromophenyl)methyl]-2-fluorobenzamide?
N-[(2-bromophenyl)methyl]-2-fluorobenzamide has a molecular weight of 308.15 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 17173440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).