4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide

C16H14BrClFNO — CID 81294804

IUPAC4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrClFNO/c1-2-20(10-11-4-3-5-13(19)8-11)16(21)12-6-7-14(17)15(18)9-12/h3-9H,2,10H2,1H3
InChIKeyZKWUCELOGIACKM-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.90
Rot. Bonds4

About 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide

4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 81294804) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID81294804
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrClFNO/c1-2-20(10-11-4-3-5-13(19)8-11)16(21)12-6-7-14(17)15(18)9-12/h3-9H,2,10H2,1H3
InChIKeyZKWUCELOGIACKM-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
4-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43028000
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide (CID 81294804) is 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is ZKWUCELOGIACKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-2-20(10-11-4-3-5-13(19)8-11)16(21)12-6-7-14(17)15(18)9-12/h3-9H,2,10H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide?
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 370.65 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 81294804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).