2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide

C12H13Br2NO — CID 103883101

IUPAC2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C12H13Br2NO/c1-12(4-5-12)7-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyYBGRKCWBGZYYCC-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.74
Rot. Bonds3

About 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide

2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide (PubChem CID 103883101) has the molecular formula C12H13Br2NO and a molecular weight of 347.05 g/mol. Its IUPAC name is 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
PubChem CID103883101
Molecular FormulaC12H13Br2NO
Molecular Weight347.05 g/mol
Exact Mass344.94
IUPAC Name2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C12H13Br2NO/c1-12(4-5-12)7-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyYBGRKCWBGZYYCC-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
2,4-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107941305
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide (CID 103883101) is 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide is CC1(CNC(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide?
The InChIKey is YBGRKCWBGZYYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO/c1-12(4-5-12)7-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide?
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide has a molecular weight of 347.05 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103883101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).