N-[3-(bromomethyl)phenyl]-3-fluorobenzamide

C14H11BrFNO — CID 114307159

IUPACN-[3-(bromomethyl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1cccc(F)c1
InChIInChI=1S/C14H11BrFNO/c15-9-10-3-1-6-13(7-10)17-14(18)11-4-2-5-12(16)8-11/h1-8H,9H2,(H,17,18)
InChIKeyZHDMECAMEISTHQ-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.97
Rot. Bonds3

About N-[3-(bromomethyl)phenyl]-3-fluorobenzamide

N-[3-(bromomethyl)phenyl]-3-fluorobenzamide (PubChem CID 114307159) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-3-fluorobenzamide
PubChem CID114307159
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC NameN-[3-(bromomethyl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1cccc(F)c1
InChIInChI=1S/C14H11BrFNO/c15-9-10-3-1-6-13(7-10)17-14(18)11-4-2-5-12(16)8-11/h1-8H,9H2,(H,17,18)
InChIKeyZHDMECAMEISTHQ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(bromomethyl)phenyl]carbamoyl]benzenesulfonyl fluoride
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N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
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N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
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N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
CID 170860390
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-3-fluorobenzamide (CID 114307159) is N-[3-(bromomethyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-3-fluorobenzamide is O=C(Nc1cccc(CBr)c1)c1cccc(F)c1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-3-fluorobenzamide?
The InChIKey is ZHDMECAMEISTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c15-9-10-3-1-6-13(7-10)17-14(18)11-4-2-5-12(16)8-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-[3-(bromomethyl)phenyl]-3-fluorobenzamide?
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide has a molecular weight of 308.15 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 114307159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).