2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide

C12H13Br2NO — CID 103882627

IUPAC2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
SMILESCC1(C)CC1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO/c1-12(2)6-10(12)15-11(16)8-4-3-7(13)5-9(8)14/h3-5,10H,6H2,1-2H3,(H,15,16)
InChIKeyRPXWNXCNMKUKBH-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.74
Rot. Bonds2

About 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide

2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide (PubChem CID 103882627) has the molecular formula C12H13Br2NO and a molecular weight of 347.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
PubChem CID103882627
Molecular FormulaC12H13Br2NO
Molecular Weight347.05 g/mol
Exact Mass344.94
IUPAC Name2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
SMILESCC1(C)CC1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO/c1-12(2)6-10(12)15-11(16)8-4-3-7(13)5-9(8)14/h3-5,10H,6H2,1-2H3,(H,15,16)
InChIKeyRPXWNXCNMKUKBH-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-N-(2,2-dimethylcyclopropyl)-2-sulfanylbenzamide
CID 107027442
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951697
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
2-amino-N-(2,2-dimethylcyclopropyl)-5-methylbenzamide
CID 62510402
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
2,4-dibromo-N-methylbenzamide
CID 54214948
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
4-bromo-3-[(2,2-dimethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 65397188
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide (CID 103882627) is 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide is CC1(C)CC1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide?
The InChIKey is RPXWNXCNMKUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO/c1-12(2)6-10(12)15-11(16)8-4-3-7(13)5-9(8)14/h3-5,10H,6H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide?
2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide has a molecular weight of 347.05 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide is sourced from PubChem (CID 103882627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).