2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide

C12H13Br2NO — CID 103882559

IUPAC2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO/c1-15(7-8-2-3-8)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,2-3,7H2,1H3
InChIKeyKGWMZOOLRMGCJR-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.69
Rot. Bonds3

About 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide

2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide (PubChem CID 103882559) has the molecular formula C12H13Br2NO and a molecular weight of 347.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
PubChem CID103882559
Molecular FormulaC12H13Br2NO
Molecular Weight347.05 g/mol
Exact Mass344.94
IUPAC Name2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO/c1-15(7-8-2-3-8)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,2-3,7H2,1H3
InChIKeyKGWMZOOLRMGCJR-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 103883141
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234296
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
2-bromo-4-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylbenzamide
CID 114025196
4-bromo-N-[(3-bromocyclobutyl)methyl]-2-fluoro-N-methylbenzamide
CID 80673461
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide?
The IUPAC name of 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide (CID 103882559) is 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide?
The canonical SMILES for 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide is CN(CC1CC1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide?
The InChIKey is KGWMZOOLRMGCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO/c1-15(7-8-2-3-8)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide?
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide has a molecular weight of 347.05 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide is sourced from PubChem (CID 103882559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).