4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide

C19H18N2O3 — CID 109043399

IUPAC4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-12(22)13-6-8-16(9-7-13)20-18(23)14-2-4-15(5-3-14)19(24)21-17-10-11-17/h2-9,17H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyGLXXCOXZGQAJDO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.03
Rot. Bonds5

About 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide

4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide (PubChem CID 109043399) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
PubChem CID109043399
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-12(22)13-6-8-16(9-7-13)20-18(23)14-2-4-15(5-3-14)19(24)21-17-10-11-17/h2-9,17H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyGLXXCOXZGQAJDO-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
5-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18132739
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-benzamido-N-cyclopentylbenzamide
CID 1262350
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-acetyl-N-[4-(cyclopropylcarbamoyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 51299789
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide (CID 109043399) is 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide is CC(=O)c1ccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cc1.
What is the InChIKey of 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
The InChIKey is GLXXCOXZGQAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(22)13-6-8-16(9-7-13)20-18(23)14-2-4-15(5-3-14)19(24)21-17-10-11-17/h2-9,17H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide?
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).