3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide

C11H11BrClNO — CID 103989531

IUPAC3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H11BrClNO/c1-6-5-9(6)14-11(15)7-3-2-4-8(12)10(7)13/h2-4,6,9H,5H2,1H3,(H,14,15)
InChIKeyPUPIZLWEZGHTPL-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.24
Rot. Bonds2

About 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide

3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide (PubChem CID 103989531) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
PubChem CID103989531
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H11BrClNO/c1-6-5-9(6)14-11(15)7-3-2-4-8(12)10(7)13/h2-4,6,9H,5H2,1H3,(H,14,15)
InChIKeyPUPIZLWEZGHTPL-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333
3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 113363104
2,3-difluoro-N-(2-methylcyclopropyl)benzamide
CID 62661294
3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 103980277
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
3-bromo-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
CID 63113628
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
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CID 103990086

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide (CID 103989531) is 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide is CC1CC1NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide?
The InChIKey is PUPIZLWEZGHTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-6-5-9(6)14-11(15)7-3-2-4-8(12)10(7)13/h2-4,6,9H,5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide?
3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide has a molecular weight of 288.57 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide is sourced from PubChem (CID 103989531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).