4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide

C16H15BrFNO — CID 11131484

IUPAC4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(CBr)cc1
InChIInChI=1S/C16H15BrFNO/c17-11-13-1-5-14(6-2-13)16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20)
InChIKeyIQEPSFNRKSQTTK-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.69
Rot. Bonds5

About 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide

4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 11131484) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID11131484
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(CBr)cc1
InChIInChI=1S/C16H15BrFNO/c17-11-13-1-5-14(6-2-13)16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20)
InChIKeyIQEPSFNRKSQTTK-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.69
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

4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019
N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 86613992
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 11131484) is 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccc(F)cc1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is IQEPSFNRKSQTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-11-13-1-5-14(6-2-13)16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide?
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 336.20 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 11131484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).