1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

C20H21ClN2O2 — CID 108981853

IUPAC1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)Nc2ccc(Cl)cc2C)CC1)c1ccccc1
InChIInChI=1S/C20H21ClN2O2/c1-3-23(16-7-5-4-6-8-16)19(25)20(11-12-20)18(24)22-17-10-9-15(21)13-14(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,22,24)
InChIKeySOQBRBLDHYJTRF-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.42
Rot. Bonds5

About 1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108981853) 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'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108981853
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)Nc2ccc(Cl)cc2C)CC1)c1ccccc1
InChIInChI=1S/C20H21ClN2O2/c1-3-23(16-7-5-4-6-8-16)19(25)20(11-12-20)18(24)22-17-10-9-15(21)13-14(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,22,24)
InChIKeySOQBRBLDHYJTRF-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
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'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980734
1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974824
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-N'-ethyl-1-N'-phenyl-1-N-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981840
1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975428
1-N-(2,4-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979061
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-N-(2,5-dichlorophenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979145
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
1-N-cyclopentyl-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971848
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108981853) is 1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is CCN(C(=O)C1(C(=O)Nc2ccc(Cl)cc2C)CC1)c1ccccc1.
What is the InChIKey of 1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is SOQBRBLDHYJTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-3-23(16-7-5-4-6-8-16)19(25)20(11-12-20)18(24)22-17-10-9-15(21)13-14(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of 1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 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'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).