1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide

C17H21BrN2O2 — CID 108971910

IUPAC1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
SMILESCc1cc(NC(=O)C2(C(=O)NC3CCCC3)CC2)ccc1Br
InChIInChI=1S/C17H21BrN2O2/c1-11-10-13(6-7-14(11)18)20-16(22)17(8-9-17)15(21)19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyPWVUPJOEPPAFOY-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.54
Rot. Bonds4

About 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide

1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide (PubChem CID 108971910) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
PubChem CID108971910
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
SMILESCc1cc(NC(=O)C2(C(=O)NC3CCCC3)CC2)ccc1Br
InChIInChI=1S/C17H21BrN2O2/c1-11-10-13(6-7-14(11)18)20-16(22)17(8-9-17)15(21)19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyPWVUPJOEPPAFOY-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-cyclopentyl-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971842
1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972267
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971860
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(4-bromo-3-methylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973184
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide (CID 108971910) is 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide is Cc1cc(NC(=O)C2(C(=O)NC3CCCC3)CC2)ccc1Br.
What is the InChIKey of 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide?
The InChIKey is PWVUPJOEPPAFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-11-10-13(6-7-14(11)18)20-16(22)17(8-9-17)15(21)19-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide?
1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).