N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C17H22BrN3O2 — CID 109134282

IUPACN-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C17H22BrN3O2/c1-11-3-4-15(14(18)9-11)19-16(22)12-10-13(12)17(23)21-7-5-20(2)6-8-21/h3-4,9,12-13H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyOUFUVKUMRRLRSK-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.11
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134282) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134282
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2C(=O)N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C17H22BrN3O2/c1-11-3-4-15(14(18)9-11)19-16(22)12-10-13(12)17(23)21-7-5-20(2)6-8-21/h3-4,9,12-13H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyOUFUVKUMRRLRSK-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134283
N-(2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134208
N-(2,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134297
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139007
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139971
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920
N-(2,6-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134311
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138972
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109134282) is N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2CC2C(=O)N2CCN(C)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is OUFUVKUMRRLRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-11-3-4-15(14(18)9-11)19-16(22)12-10-13(12)17(23)21-7-5-20(2)6-8-21/h3-4,9,12-13H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).