2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide

C14H18BrNO2 — CID 113238439

IUPAC2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCCC2CC2)c1
InChIInChI=1S/C14H18BrNO2/c1-18-11-6-7-13(15)12(9-11)14(17)16-8-2-3-10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,16,17)
InChIKeyNAHXPYCZWJGARO-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.38
Rot. Bonds6

About 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide

2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide (PubChem CID 113238439) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
PubChem CID113238439
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCCC2CC2)c1
InChIInChI=1S/C14H18BrNO2/c1-18-11-6-7-13(15)12(9-11)14(17)16-8-2-3-10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,16,17)
InChIKeyNAHXPYCZWJGARO-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-N-(3-cyclopropylpropyl)-5-sulfanylbenzamide
CID 107036030
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
CID 61150115
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-hex-5-ynyl-5-methoxybenzamide
CID 113256097
2-bromo-N-[3-(tert-butylamino)-3-oxopropyl]-5-methoxybenzamide
CID 115609106
2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
CID 61383519

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide (CID 113238439) is 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCCCC2CC2)c1.
What is the InChIKey of 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide?
The InChIKey is NAHXPYCZWJGARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-11-6-7-13(15)12(9-11)14(17)16-8-2-3-10-4-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide?
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide has a molecular weight of 312.21 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide is sourced from PubChem (CID 113238439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).