2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide

C14H18BrNO — CID 81005817

IUPAC2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1Br)C1CC1
InChIInChI=1S/C14H18BrNO/c1-3-8-16(11-5-6-11)14(17)12-9-10(2)4-7-13(12)15/h4,7,9,11H,3,5-6,8H2,1-2H3
InChIKeyCXLKXUXHZSZYEW-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.77
Rot. Bonds4

About 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide

2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide (PubChem CID 81005817) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
PubChem CID81005817
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1Br)C1CC1
InChIInChI=1S/C14H18BrNO/c1-3-8-16(11-5-6-11)14(17)12-9-10(2)4-7-13(12)15/h4,7,9,11H,3,5-6,8H2,1-2H3
InChIKeyCXLKXUXHZSZYEW-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
2-bromo-N-(2-bromoethyl)-N-cyclobutyl-5-methylbenzamide
CID 102872929
N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
CID 79116898
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide
CID 81005126
N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
CID 65455448
N-(2-bromoethyl)-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 80665330
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
CID 61350342

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide (CID 81005817) is 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide is CCCN(C(=O)c1cc(C)ccc1Br)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide?
The InChIKey is CXLKXUXHZSZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-3-8-16(11-5-6-11)14(17)12-9-10(2)4-7-13(12)15/h4,7,9,11H,3,5-6,8H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide?
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide is sourced from PubChem (CID 81005817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).