5-bromo-N-cyclopropyl-2-ethoxybenzamide

C12H14BrNO2 — CID 135563587

IUPAC5-bromo-N-cyclopropyl-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)NC1CC1
InChIInChI=1S/C12H14BrNO2/c1-2-16-11-6-3-8(13)7-10(11)12(15)14-9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,14,15)
InChIKeyQTVPPWMOSMJTCV-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.74
Rot. Bonds4

About 5-bromo-N-cyclopropyl-2-ethoxybenzamide

5-bromo-N-cyclopropyl-2-ethoxybenzamide (PubChem CID 135563587) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2-ethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-2-ethoxybenzamide
PubChem CID135563587
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name5-bromo-N-cyclopropyl-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)NC1CC1
InChIInChI=1S/C12H14BrNO2/c1-2-16-11-6-3-8(13)7-10(11)12(15)14-9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,14,15)
InChIKeyQTVPPWMOSMJTCV-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
(5-bromo-2-ethoxyphenyl)-(oxan-2-yl)methanone
CID 62213865
5-bromo-N-(cyclohexylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
CID 17357536
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
(5-bromo-2-ethoxyphenyl)-(2-ethyloxolan-3-yl)methanone
CID 114105395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2-ethoxybenzamide?
The IUPAC name of 5-bromo-N-cyclopropyl-2-ethoxybenzamide (CID 135563587) is 5-bromo-N-cyclopropyl-2-ethoxybenzamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-2-ethoxybenzamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-2-ethoxybenzamide is CCOc1ccc(Br)cc1C(=O)NC1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-2-ethoxybenzamide?
The InChIKey is QTVPPWMOSMJTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-2-16-11-6-3-8(13)7-10(11)12(15)14-9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-cyclopropyl-2-ethoxybenzamide?
5-bromo-N-cyclopropyl-2-ethoxybenzamide has a molecular weight of 284.15 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-2-ethoxybenzamide is sourced from PubChem (CID 135563587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).