4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide

C16H12ClNO4 — CID 102136458

IUPAC4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide
SMILESCOc1ccc(C(=O)C(=O)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClNO4/c1-22-13-8-4-10(5-9-13)14(19)16(21)18-15(20)11-2-6-12(17)7-3-11/h2-9H,1H3,(H,18,20,21)
InChIKeyPJXXMYLVDJMFFW-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.49
Rot. Bonds4

About 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide

4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide (PubChem CID 102136458) has the molecular formula C16H12ClNO4 and a molecular weight of 317.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide
PubChem CID102136458
Molecular FormulaC16H12ClNO4
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Name4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide
SMILESCOc1ccc(C(=O)C(=O)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClNO4/c1-22-13-8-4-10(5-9-13)14(19)16(21)18-15(20)11-2-6-12(17)7-3-11/h2-9H,1H3,(H,18,20,21)
InChIKeyPJXXMYLVDJMFFW-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-[bis[(4-methoxyphenyl)methyl]carbamothioyl]-4-chlorobenzamide
CID 87073657
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
S-(4-chlorobenzoyl)sulfanyl 4-methoxybenzenecarbothioate
CID 12596573
N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide
CID 166593697
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
1-(4-chlorophenyl)-2-methoxyprop-2-en-1-one
CID 18981011
N-carbamothioyl-4-methoxybenzamide
CID 14007083
N-acetyl-4-chlorobenzamide
CID 11735747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide (CID 102136458) is 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide is COc1ccc(C(=O)C(=O)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide?
The InChIKey is PJXXMYLVDJMFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4/c1-22-13-8-4-10(5-9-13)14(19)16(21)18-15(20)11-2-6-12(17)7-3-11/h2-9H,1H3,(H,18,20,21).
What are the key properties of 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide?
4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide has a molecular weight of 317.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide is sourced from PubChem (CID 102136458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).