1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide

C18H17ClN2O2 — CID 109050783

IUPAC1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H17ClN2O2/c1-11-5-6-14(19)10-16(11)21-18(23)13-4-2-3-12(9-13)17(22)20-15-7-8-15/h2-6,9-10,15H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyVMYRTXBTRVODKH-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.79
Rot. Bonds4

About 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide

1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide (PubChem CID 109050783) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
PubChem CID109050783
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H17ClN2O2/c1-11-5-6-14(19)10-16(11)21-18(23)13-4-2-3-12(9-13)17(22)20-15-7-8-15/h2-6,9-10,15H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyVMYRTXBTRVODKH-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715
4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080959
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109050846
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide (CID 109050783) is 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide is Cc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide?
The InChIKey is VMYRTXBTRVODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-5-6-14(19)10-16(11)21-18(23)13-4-2-3-12(9-13)17(22)20-15-7-8-15/h2-6,9-10,15H,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide?
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).