N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide

C17H14ClNO4 — CID 22431239

IUPACN-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
SMILESCOc1cccc(C(=O)CC(=O)C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H14ClNO4/c1-23-12-6-4-5-11(9-12)15(20)10-16(21)17(22)19-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyDZEXAUVRLHJFDP-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.13
Rot. Bonds6

About N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide

N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide (PubChem CID 22431239) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
PubChem CID22431239
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC NameN-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
SMILESCOc1cccc(C(=O)CC(=O)C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H14ClNO4/c1-23-12-6-4-5-11(9-12)15(20)10-16(21)17(22)19-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyDZEXAUVRLHJFDP-UHFFFAOYSA-N
XLogP3.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
CID 153346507
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 5227047
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532468
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
CID 2229520
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide (CID 22431239) is N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide is COc1cccc(C(=O)CC(=O)C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide?
The InChIKey is DZEXAUVRLHJFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-23-12-6-4-5-11(9-12)15(20)10-16(21)17(22)19-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide?
N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide has a molecular weight of 331.76 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide is sourced from PubChem (CID 22431239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).