4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide

C17H16Cl2N2O2 — CID 109043049

IUPAC4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-7-20-16(22)11-3-5-12(6-4-11)17(23)21-15-9-13(18)8-14(19)10-15/h3-6,8-10H,2,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyCTVSAPRNOWKYPV-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.39
Rot. Bonds5

About 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide

4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide (PubChem CID 109043049) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
PubChem CID109043049
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-7-20-16(22)11-3-5-12(6-4-11)17(23)21-15-9-13(18)8-14(19)10-15/h3-6,8-10H,2,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyCTVSAPRNOWKYPV-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
3,5-dichloro-N-propylbenzamide
CID 2767298
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
N-(3,5-dichlorophenyl)-4-(pentanoylamino)benzamide
CID 4630686
3-amino-4-(3,5-dichloroanilino)-N-propylbenzamide
CID 100628629
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide (CID 109043049) is 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide is CCCNC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The InChIKey is CTVSAPRNOWKYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-7-20-16(22)11-3-5-12(6-4-11)17(23)21-15-9-13(18)8-14(19)10-15/h3-6,8-10H,2,7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide?
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide has a molecular weight of 351.23 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).