3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide

C17H14Cl2N2O2 — CID 109050846

IUPAC3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-5-2-6-14(19)15(13)21-17(23)11-4-1-3-10(9-11)16(22)20-12-7-8-12/h1-6,9,12H,7-8H2,(H,20,22)(H,21,23)
InChIKeyRAHFVFCDHQPLRE-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.14
Rot. Bonds4

About 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide

3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109050846) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
PubChem CID109050846
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-5-2-6-14(19)15(13)21-17(23)11-4-1-3-10(9-11)16(22)20-12-7-8-12/h1-6,9,12H,7-8H2,(H,20,22)(H,21,23)
InChIKeyRAHFVFCDHQPLRE-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-cyclopentyl-2-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080842
3-N-cyclopentyl-1-N-(2,3-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051954
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081638
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050788
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide (CID 109050846) is 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is RAHFVFCDHQPLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-13-5-2-6-14(19)15(13)21-17(23)11-4-1-3-10(9-11)16(22)20-12-7-8-12/h1-6,9,12H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide?
3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 349.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109050846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).