1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide

C17H23ClN2O2 — CID 108975947

IUPAC1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(2)7-10-19-15(21)17(8-9-17)16(22)20-11-13-5-3-4-6-14(13)18/h3-6,12H,7-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQMYUYKAGCFMSPS-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.90
Rot. Bonds7

About 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide

1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108975947) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
PubChem CID108975947
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(2)7-10-19-15(21)17(8-9-17)16(22)20-11-13-5-3-4-6-14(13)18/h3-6,12H,7-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQMYUYKAGCFMSPS-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.90
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'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975978
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
N-[(2-chlorophenyl)methyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591093
1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975995
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
(3S)-2-[(2-chlorophenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
CID 92867325
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978428
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974930
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide (CID 108975947) is 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide is CC(C)CCNC(=O)C1(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is QMYUYKAGCFMSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(2)7-10-19-15(21)17(8-9-17)16(22)20-11-13-5-3-4-6-14(13)18/h3-6,12H,7-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).