1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide

C22H25ClN2O2 — CID 108975978

IUPAC1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2(C(=O)NCc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H25ClN2O2/c1-21(2,3)16-8-10-17(11-9-16)25-20(27)22(12-13-22)19(26)24-14-15-6-4-5-7-18(15)23/h4-11H,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyAZXYVIJECWICMO-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.67
Rot. Bonds5

About 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108975978) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108975978
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2(C(=O)NCc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H25ClN2O2/c1-21(2,3)16-8-10-17(11-9-16)25-20(27)22(12-13-22)19(26)24-14-15-6-4-5-7-18(15)23/h4-11H,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyAZXYVIJECWICMO-UHFFFAOYSA-N
XLogP4.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.67
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-[(2-chlorophenyl)methyl]-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108976029
1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108975947
1-N-[(2-chlorophenyl)methyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975995
1-N-(4-tert-butylphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982284
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965
1-N-[(2-methoxyphenyl)methyl]-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976256
1-N-(4-tert-butylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980760
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108974881
1-N'-(3,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974966
[4-[(2-chlorophenyl)methylcarbamoyl]oxan-4-yl]methyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 25025604

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108975978) is 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide is CC(C)(C)c1ccc(NC(=O)C2(C(=O)NCc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is AZXYVIJECWICMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-21(2,3)16-8-10-17(11-9-16)25-20(27)22(12-13-22)19(26)24-14-15-6-4-5-7-18(15)23/h4-11H,12-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-tert-butylphenyl)-1-N-[(2-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).