1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C20H23ClN2O2 — CID 109056617

IUPAC1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN2O2/c1-3-12-23(13-4-2)20(25)16-7-5-6-15(14-16)19(24)22-18-10-8-17(21)9-11-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyFOYRSDVHGKRNJT-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.85
Rot. Bonds7

About 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 109056617) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID109056617
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN2O2/c1-3-12-23(13-4-2)20(25)16-7-5-6-15(14-16)19(24)22-18-10-8-17(21)9-11-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyFOYRSDVHGKRNJT-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-chloro-4-methylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056621
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
3-chloro-N,N-dipropylbenzamide
CID 669182
1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119422209
1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056658
1-N-(3-amino-4-methoxyphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119419491
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106769

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 109056617) is 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is FOYRSDVHGKRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-12-23(13-4-2)20(25)16-7-5-6-15(14-16)19(24)22-18-10-8-17(21)9-11-18/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,24).
What are the key properties of 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 358.87 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).