1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide

C22H19ClN2O3 — CID 109049963

IUPAC1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-2-28-20-9-4-3-8-19(20)25-22(27)16-12-10-15(11-13-16)21(26)24-18-7-5-6-17(23)14-18/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyXRFHEDQRNIQZJG-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.24
Rot. Bonds6

About 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide

1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 109049963) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID109049963
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-2-28-20-9-4-3-8-19(20)25-22(27)16-12-10-15(11-13-16)21(26)24-18-7-5-6-17(23)14-18/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyXRFHEDQRNIQZJG-UHFFFAOYSA-N
XLogP5.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
CID 109037963
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
2-N-(3-chlorophenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142878
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134086
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-ethoxyanilino)prop-2-enamide
CID 108860536

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide (CID 109049963) is 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide is CCOc1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is XRFHEDQRNIQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-2-28-20-9-4-3-8-19(20)25-22(27)16-12-10-15(11-13-16)21(26)24-18-7-5-6-17(23)14-18/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide?
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 394.86 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).