2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide

C16H14BrClFNO — CID 107982395

IUPAC2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1Br
InChIInChI=1S/C16H14BrClFNO/c1-10-5-3-6-11(15(10)17)16(21)20(2)9-12-13(18)7-4-8-14(12)19/h3-8H,9H2,1-2H3
InChIKeyVLXPKXQPVMEZIG-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.82
Rot. Bonds3

About 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide

2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide (PubChem CID 107982395) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
PubChem CID107982395
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1Br
InChIInChI=1S/C16H14BrClFNO/c1-10-5-3-6-11(15(10)17)16(21)20(2)9-12-13(18)7-4-8-14(12)19/h3-8H,9H2,1-2H3
InChIKeyVLXPKXQPVMEZIG-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103852799
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104852084
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide (CID 107982395) is 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1Br.
What is the InChIKey of 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is VLXPKXQPVMEZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-10-5-3-6-11(15(10)17)16(21)20(2)9-12-13(18)7-4-8-14(12)19/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide?
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide has a molecular weight of 370.65 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 107982395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).