4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide

C21H23ClN2O2 — CID 51295036

IUPAC4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-24(4-2)21(26)14-9-11-15(12-10-14)23-20(25)18-13-17(18)16-7-5-6-8-19(16)22/h5-12,17-18H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyXOIFRWYYKHKHBH-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.56
Rot. Bonds6

About 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide

4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide (PubChem CID 51295036) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
PubChem CID51295036
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-24(4-2)21(26)14-9-11-15(12-10-14)23-20(25)18-13-17(18)16-7-5-6-8-19(16)22/h5-12,17-18H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyXOIFRWYYKHKHBH-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55748842
3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
CID 124684391
2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 78848282
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 95311713
2-(2-chlorophenyl)-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 78866594
2-(2-chlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51300234
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 52528491
2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 55763153
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-chloro-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17197076
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide (CID 51295036) is 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)C2CC2c2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide?
The InChIKey is XOIFRWYYKHKHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-24(4-2)21(26)14-9-11-15(12-10-14)23-20(25)18-13-17(18)16-7-5-6-8-19(16)22/h5-12,17-18H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide?
4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide has a molecular weight of 370.88 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 51295036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).