1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide

C20H21ClN2O2 — CID 108975428

IUPAC1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-13-12-16(21)8-9-17(13)23-19(25)20(10-11-20)18(24)22-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYCZARDFTWQFAFW-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.24
Rot. Bonds5

About 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide

1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108975428) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108975428
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-13-12-16(21)8-9-17(13)23-19(25)20(10-11-20)18(24)22-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYCZARDFTWQFAFW-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.24
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-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398
1-N-(3-chlorophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975424
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974824
1-N-(3-acetamidophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975451
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
1-N'-(1-phenylethyl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975446
1-N-(5-methyl-1,2-oxazol-3-yl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975488
1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981853
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide (CID 108975428) is 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)C1(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is YCZARDFTWQFAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-12-16(21)8-9-17(13)23-19(25)20(10-11-20)18(24)22-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide?
1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).