1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide

C18H17ClN2O3 — CID 109050788

IUPAC1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-24-16-8-7-14(10-15(16)19)21-18(23)12-4-2-3-11(9-12)17(22)20-13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H,20,22)(H,21,23)
InChIKeyHIMIYVYRAJRXCK-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.49
Rot. Bonds5

About 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide

1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide (PubChem CID 109050788) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
PubChem CID109050788
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)cc1Cl
InChIInChI=1S/C18H17ClN2O3/c1-24-16-8-7-14(10-15(16)19)21-18(23)12-4-2-3-11(9-12)17(22)20-13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H,20,22)(H,21,23)
InChIKeyHIMIYVYRAJRXCK-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
3-N-(3-chloro-4-methoxyphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103098
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053219
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130939
3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109050846
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide (CID 109050788) is 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide is COc1ccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)cc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The InChIKey is HIMIYVYRAJRXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-24-16-8-7-14(10-15(16)19)21-18(23)12-4-2-3-11(9-12)17(22)20-13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide?
1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).