4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide

C23H20Cl3N3O3 — CID 3448040

IUPAC4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C23H20Cl3N3O3/c1-2-32-17-7-3-14(4-8-17)13-27-22(30)15-5-9-19(25)21(11-15)29-23(31)28-16-6-10-18(24)20(26)12-16/h3-12H,2,13H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyYDENTBPMKVAPPM-UHFFFAOYSA-N
MW492.79 g/mol
LogP6.62
Rot. Bonds7

About 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide

4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide (PubChem CID 3448040) has the molecular formula C23H20Cl3N3O3 and a molecular weight of 492.79 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide
PubChem CID3448040
Molecular FormulaC23H20Cl3N3O3
Molecular Weight492.79 g/mol
Exact Mass491.06
IUPAC Name4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C23H20Cl3N3O3/c1-2-32-17-7-3-14(4-8-17)13-27-22(30)15-5-9-19(25)21(11-15)29-23(31)28-16-6-10-18(24)20(26)12-16/h3-12H,2,13H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyYDENTBPMKVAPPM-UHFFFAOYSA-N
XLogP6.62
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.79
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
1-(2-chloro-5-nitrophenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884373
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109234037
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109157012
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
methyl 4-chloro-3-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112973218
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide (CID 3448040) is 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide is CCOc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide?
The InChIKey is YDENTBPMKVAPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N3O3/c1-2-32-17-7-3-14(4-8-17)13-27-22(30)15-5-9-19(25)21(11-15)29-23(31)28-16-6-10-18(24)20(26)12-16/h3-12H,2,13H2,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide?
4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide has a molecular weight of 492.79 g/mol, XLogP of 6.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dichlorophenyl)carbamoylamino]-N-[(4-ethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 3448040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).