4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide

C16H15BrFNO — CID 60611411

IUPAC4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc(CCNC(=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-3-2-4-12(9-11)7-8-19-16(20)13-5-6-14(17)15(18)10-13/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyDDPTYSJOQGUOBU-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.87
Rot. Bonds4

About 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide

4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide (PubChem CID 60611411) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
PubChem CID60611411
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc(CCNC(=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-3-2-4-12(9-11)7-8-19-16(20)13-5-6-14(17)15(18)10-13/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyDDPTYSJOQGUOBU-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 63978992
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
CID 60622543
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide (CID 60611411) is 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide is Cc1cccc(CCNC(=O)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide?
The InChIKey is DDPTYSJOQGUOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-3-2-4-12(9-11)7-8-19-16(20)13-5-6-14(17)15(18)10-13/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide?
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide has a molecular weight of 336.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 60611411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).