3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide

C23H20Cl2N2O3 — CID 4636503

IUPAC3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2cccc(Cl)c2)NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-2-30-20-11-9-15(10-12-20)21(26-22(28)16-5-3-7-18(24)13-16)27-23(29)17-6-4-8-19(25)14-17/h3-14,21H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyRPNZOMDJFIISDJ-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.25
Rot. Bonds7

About 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide

3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide (PubChem CID 4636503) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide
PubChem CID4636503
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2cccc(Cl)c2)NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-2-30-20-11-9-15(10-12-20)21(26-22(28)16-5-3-7-18(24)13-16)27-23(29)17-6-4-8-19(25)14-17/h3-14,21H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyRPNZOMDJFIISDJ-UHFFFAOYSA-N
XLogP5.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
3-chloro-N-propan-2-ylbenzamide
CID 669184
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxyphenyl)methyl]benzamide
CID 2526949
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310480
3-chloro-N-[4-[(4-ethoxybenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629279
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-3-chlorobenzamide
CID 71185964
3-chloro-N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21167187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide (CID 4636503) is 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide is CCOc1ccc(C(NC(=O)c2cccc(Cl)c2)NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide?
The InChIKey is RPNZOMDJFIISDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-2-30-20-11-9-15(10-12-20)21(26-22(28)16-5-3-7-18(24)13-16)27-23(29)17-6-4-8-19(25)14-17/h3-14,21H,2H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide?
3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide has a molecular weight of 443.33 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 4636503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).