N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide

C13H14Cl2N2O2 — CID 110866286

IUPACN-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)NC(=O)C1CC1
InChIInChI=1S/C13H14Cl2N2O2/c14-10-4-3-8(11(15)7-10)5-6-16-13(19)17-12(18)9-1-2-9/h3-4,7,9H,1-2,5-6H2,(H2,16,17,18,19)
InChIKeyXYXGPCGSJZLRSC-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide

N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide (PubChem CID 110866286) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
PubChem CID110866286
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)NC(=O)C1CC1
InChIInChI=1S/C13H14Cl2N2O2/c14-10-4-3-8(11(15)7-10)5-6-16-13(19)17-12(18)9-1-2-9/h3-4,7,9H,1-2,5-6H2,(H2,16,17,18,19)
InChIKeyXYXGPCGSJZLRSC-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149558
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-[2-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111720369
1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 110706680
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113031057
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
2-(cyclopropylcarbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 112995921
N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211031
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777056

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide (CID 110866286) is N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide is O=C(NCCc1ccc(Cl)cc1Cl)NC(=O)C1CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide?
The InChIKey is XYXGPCGSJZLRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-10-4-3-8(11(15)7-10)5-6-16-13(19)17-12(18)9-1-2-9/h3-4,7,9H,1-2,5-6H2,(H2,16,17,18,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide?
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide is sourced from PubChem (CID 110866286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).