2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide

C17H14Cl2N2O2 — CID 95311713

IUPAC2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c18-14-4-2-1-3-10(14)12-8-13(12)17(23)21-9-5-6-11(16(20)22)15(19)7-9/h1-7,12-13H,8H2,(H2,20,22)(H,21,23)/t12-,13+/m0/s1
InChIKeyZQJVVJSXIITNCO-QWHCGFSZSA-N
MW349.22 g/mol
LogP3.83
Rot. Bonds4

About 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide

2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 95311713) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
PubChem CID95311713
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c18-14-4-2-1-3-10(14)12-8-13(12)17(23)21-9-5-6-11(16(20)22)15(19)7-9/h1-7,12-13H,8H2,(H2,20,22)(H,21,23)/t12-,13+/m0/s1
InChIKeyZQJVVJSXIITNCO-QWHCGFSZSA-N
XLogP3.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 52528491
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
CID 79510866
4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657
2-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55748842
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 51295410
2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 55763153
2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 78848282
2-(2-chlorophenyl)-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 78866594
4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
CID 51295036
2-(2-chlorophenyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 55619996
N-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55476894

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 95311713) is 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide is NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is ZQJVVJSXIITNCO-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-14-4-2-1-3-10(14)12-8-13(12)17(23)21-9-5-6-11(16(20)22)15(19)7-9/h1-7,12-13H,8H2,(H2,20,22)(H,21,23)/t12-,13+/m0/s1.
What are the key properties of 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide?
2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 349.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 95311713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).