2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide

C24H23ClN2O2 — CID 11841270

IUPAC2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClN2O2/c1-3-27(4-2)20-15-13-19(14-16-20)26-24(29)22-8-6-5-7-21(22)23(28)17-9-11-18(25)12-10-17/h5-16H,3-4H2,1-2H3,(H,26,29)
InChIKeyGZSJFXUZLINDDF-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.67
Rot. Bonds7

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

2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide (PubChem CID 11841270) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide
PubChem CID11841270
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClN2O2/c1-3-27(4-2)20-15-13-19(14-16-20)26-24(29)22-8-6-5-7-21(22)23(28)17-9-11-18(25)12-10-17/h5-16H,3-4H2,1-2H3,(H,26,29)
InChIKeyGZSJFXUZLINDDF-UHFFFAOYSA-N
XLogP5.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 165365429
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
2-(cyanomethyl)-N-[4-(diethylamino)phenyl]benzamide
CID 94806407
propyl 2-[(4-chlorophenyl)carbamoyl]benzoate
CID 71387076
3-amino-N-[4-(diethylamino)phenyl]-2-methylbenzamide
CID 28723308
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide (CID 11841270) is 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide is CCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide?
The InChIKey is GZSJFXUZLINDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-3-27(4-2)20-15-13-19(14-16-20)26-24(29)22-8-6-5-7-21(22)23(28)17-9-11-18(25)12-10-17/h5-16H,3-4H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide?
2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide has a molecular weight of 406.91 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-[4-(diethylamino)phenyl]benzamide is sourced from PubChem (CID 11841270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).