4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide

C16H16BrFN2O — CID 107095670

IUPAC4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-19-16(21)11-4-7-14(8-5-11)20-10-12-3-6-13(18)9-15(12)17/h3-9,20H,2,10H2,1H3,(H,19,21)
InChIKeyONLCGCYXHCYDRH-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.95
Rot. Bonds5

About 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide

4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide (PubChem CID 107095670) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide
PubChem CID107095670
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-19-16(21)11-4-7-14(8-5-11)20-10-12-3-6-13(18)9-15(12)17/h3-9,20H,2,10H2,1H3,(H,19,21)
InChIKeyONLCGCYXHCYDRH-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
methyl 3-bromo-4-[(4-fluoroanilino)methyl]benzoate
CID 102766440
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
CID 62391591
N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 28884630
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
4-[(5-fluoro-2-methoxyphenyl)methylamino]-N-hydroxybenzamide
CID 134492118
4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 43728545
3-[(4-bromo-2-fluorophenyl)methylamino]-N-ethylbenzamide
CID 43231490
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide (CID 107095670) is 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NCc2ccc(F)cc2Br)cc1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide?
The InChIKey is ONLCGCYXHCYDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-2-19-16(21)11-4-7-14(8-5-11)20-10-12-3-6-13(18)9-15(12)17/h3-9,20H,2,10H2,1H3,(H,19,21).
What are the key properties of 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide?
4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide has a molecular weight of 351.22 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide is sourced from PubChem (CID 107095670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).