2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide

C25H24ClNO4 — CID 55932677

IUPAC2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
SMILESCCOCCOCc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H24ClNO4/c1-2-30-14-15-31-17-18-6-5-7-21(16-18)27-25(29)23-9-4-3-8-22(23)24(28)19-10-12-20(26)13-11-19/h3-13,16H,2,14-15,17H2,1H3,(H,27,29)
InChIKeyAVXCWSGDVVRBGR-UHFFFAOYSA-N
MW437.92 g/mol
LogP5.38
Rot. Bonds10

About 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide

2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide (PubChem CID 55932677) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
PubChem CID55932677
Molecular FormulaC25H24ClNO4
Molecular Weight437.92 g/mol
Exact Mass437.14
IUPAC Name2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
SMILESCCOCCOCc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H24ClNO4/c1-2-30-14-15-31-17-18-6-5-7-21(16-18)27-25(29)23-9-4-3-8-22(23)24(28)19-10-12-20(26)13-11-19/h3-13,16H,2,14-15,17H2,1H3,(H,27,29)
InChIKeyAVXCWSGDVVRBGR-UHFFFAOYSA-N
XLogP5.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.92
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride
CID 119722929
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
CID 55807023
2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide
CID 27654549
5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55806733
1-benzyl-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55806857
2-(3-chlorophenyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55806862
2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide
CID 11841270
1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858769
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide (CID 55932677) is 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide is CCOCCOCc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide?
The InChIKey is AVXCWSGDVVRBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO4/c1-2-30-14-15-31-17-18-6-5-7-21(16-18)27-25(29)23-9-4-3-8-22(23)24(28)19-10-12-20(26)13-11-19/h3-13,16H,2,14-15,17H2,1H3,(H,27,29).
What are the key properties of 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide?
2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide has a molecular weight of 437.92 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide is sourced from PubChem (CID 55932677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).