3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide

C16H14BrClFNO — CID 104852084

IUPAC3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(C)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14BrClFNO/c1-10-6-11(8-12(17)7-10)16(21)20(2)9-13-14(18)4-3-5-15(13)19/h3-8H,9H2,1-2H3
InChIKeyKYHYNGCQHKCISK-UHFFFAOYSA-N
MW370.65 g/mol
LogP4.82
Rot. Bonds3

About 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide

3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide (PubChem CID 104852084) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
PubChem CID104852084
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(C)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14BrClFNO/c1-10-6-11(8-12(17)7-10)16(21)20(2)9-13-14(18)4-3-5-15(13)19/h3-8H,9H2,1-2H3
InChIKeyKYHYNGCQHKCISK-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

3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60954367
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 55315127
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351
N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949110
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide?
The IUPAC name of 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide (CID 104852084) is 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide is Cc1cc(Br)cc(C(=O)N(C)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide?
The InChIKey is KYHYNGCQHKCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-10-6-11(8-12(17)7-10)16(21)20(2)9-13-14(18)4-3-5-15(13)19/h3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide?
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-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 3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide is sourced from PubChem (CID 104852084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).