2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide

C16H20BrNO — CID 81002456

IUPAC2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(CC2CC2)CC2CC2)c1
InChIInChI=1S/C16H20BrNO/c1-11-2-7-15(17)14(8-11)16(19)18(9-12-3-4-12)10-13-5-6-13/h2,7-8,12-13H,3-6,9-10H2,1H3
InChIKeyZAUXVBQFGVTJRJ-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.02
Rot. Bonds5

About 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide

2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide (PubChem CID 81002456) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
PubChem CID81002456
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(CC2CC2)CC2CC2)c1
InChIInChI=1S/C16H20BrNO/c1-11-2-7-15(17)14(8-11)16(19)18(9-12-3-4-12)10-13-5-6-13/h2,7-8,12-13H,3-6,9-10H2,1H3
InChIKeyZAUXVBQFGVTJRJ-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
2-bromo-N-[(3-bromocyclobutyl)methyl]-N,5-dimethylbenzamide
CID 81117729
(2-bromo-5-methylphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81002288
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
2-bromo-N-(2-bromoethyl)-N-cyclobutyl-5-methylbenzamide
CID 102872929
N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532676
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide (CID 81002456) is 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)N(CC2CC2)CC2CC2)c1.
What is the InChIKey of 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide?
The InChIKey is ZAUXVBQFGVTJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-11-2-7-15(17)14(8-11)16(19)18(9-12-3-4-12)10-13-5-6-13/h2,7-8,12-13H,3-6,9-10H2,1H3.
What are the key properties of 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide?
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide has a molecular weight of 322.25 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide is sourced from PubChem (CID 81002456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).