2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide

C14H18BrNO — CID 103853537

IUPAC2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)C2CC2)c1Br
InChIInChI=1S/C14H18BrNO/c1-9-4-3-5-12(13(9)15)14(17)16-8-10(2)11-6-7-11/h3-5,10-11H,6-8H2,1-2H3,(H,16,17)
InChIKeyCGTDKQSZBFSRHQ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.53
Rot. Bonds4

About 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide

2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide (PubChem CID 103853537) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
PubChem CID103853537
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)C2CC2)c1Br
InChIInChI=1S/C14H18BrNO/c1-9-4-3-5-12(13(9)15)14(17)16-8-10(2)11-6-7-11/h3-5,10-11H,6-8H2,1-2H3,(H,16,17)
InChIKeyCGTDKQSZBFSRHQ-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide
CID 106544356
2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide
CID 103855530
2-bromo-N-(3-chloro-2-methylpropyl)-3-methylbenzamide
CID 107983962
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-3-methylbenzamide
CID 114023824
N-(2-cyclopropylpropyl)-2-hydroxy-3-methoxybenzamide
CID 115591215
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide
CID 103854605
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide (CID 103853537) is 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)C2CC2)c1Br.
What is the InChIKey of 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide?
The InChIKey is CGTDKQSZBFSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9-4-3-5-12(13(9)15)14(17)16-8-10(2)11-6-7-11/h3-5,10-11H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide?
2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide is sourced from PubChem (CID 103853537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).