3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide

C16H15BrClNO — CID 107952081

IUPAC3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C16H15BrClNO/c1-11-4-3-5-12(6-11)10-19(2)16(20)13-7-14(17)9-15(18)8-13/h3-9H,10H2,1-2H3
InChIKeyMOIXQLMLZHNSNE-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.68
Rot. Bonds3

About 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide

3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 107952081) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID107952081
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C16H15BrClNO/c1-11-4-3-5-12(6-11)10-19(2)16(20)13-7-14(17)9-15(18)8-13/h3-9H,10H2,1-2H3
InChIKeyMOIXQLMLZHNSNE-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
CID 103826656
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 103706723
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
3-bromo-5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103826474
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 106551027

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 107952081) is 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CN(C)C(=O)c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is MOIXQLMLZHNSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11-4-3-5-12(6-11)10-19(2)16(20)13-7-14(17)9-15(18)8-13/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 352.66 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 107952081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).