3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C13H13BrClN3O — CID 103979664

IUPAC3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H13BrClN3O/c1-17-7-6-16-11(17)8-18(2)13(19)9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3
InChIKeyHMHNEOBKMFMTCM-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.11
Rot. Bonds3

About 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 103979664) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID103979664
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H13BrClN3O/c1-17-7-6-16-11(17)8-18(2)13(19)9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3
InChIKeyHMHNEOBKMFMTCM-UHFFFAOYSA-N
XLogP3.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 60778085
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 63025604
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81241836
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 103993167
2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 17457899

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 103979664) is 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is CN(Cc1nccn1C)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is HMHNEOBKMFMTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-17-7-6-16-11(17)8-18(2)13(19)9-4-3-5-10(14)12(9)15/h3-7H,8H2,1-2H3.
What are the key properties of 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 342.62 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 103979664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).