3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide

C15H18BrNO — CID 104852761

IUPAC3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(CC2CC2)C2CC2)c1
InChIInChI=1S/C15H18BrNO/c1-10-6-12(8-13(16)7-10)15(18)17(14-4-5-14)9-11-2-3-11/h6-8,11,14H,2-5,9H2,1H3
InChIKeyQDZKMDIGOKBYBE-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.77
Rot. Bonds4

About 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide

3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide (PubChem CID 104852761) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
PubChem CID104852761
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(CC2CC2)C2CC2)c1
InChIInChI=1S/C15H18BrNO/c1-10-6-12(8-13(16)7-10)15(18)17(14-4-5-14)9-11-2-3-11/h6-8,11,14H,2-5,9H2,1H3
InChIKeyQDZKMDIGOKBYBE-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 115999697
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 107980320
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703
N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide
CID 115999669
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide (CID 104852761) is 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)N(CC2CC2)C2CC2)c1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide?
The InChIKey is QDZKMDIGOKBYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-10-6-12(8-13(16)7-10)15(18)17(14-4-5-14)9-11-2-3-11/h6-8,11,14H,2-5,9H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide?
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide has a molecular weight of 308.22 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 3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide is sourced from PubChem (CID 104852761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).