4-(4-methoxyanilino)-4-oxobutanoyl chloride

C11H12ClNO3 — CID 82041607

IUPAC4-(4-methoxyanilino)-4-oxobutanoyl chloride
SMILESCOc1ccc(NC(=O)CCC(=O)Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-16-9-4-2-8(3-5-9)13-11(15)7-6-10(12)14/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyCLTZRVZMEYYZRQ-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.18
Rot. Bonds5

About 4-(4-methoxyanilino)-4-oxobutanoyl chloride

4-(4-methoxyanilino)-4-oxobutanoyl chloride (PubChem CID 82041607) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-4-oxobutanoyl chloride.

Molecular Properties

Compound Name4-(4-methoxyanilino)-4-oxobutanoyl chloride
PubChem CID82041607
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name4-(4-methoxyanilino)-4-oxobutanoyl chloride
SMILESCOc1ccc(NC(=O)CCC(=O)Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-16-9-4-2-8(3-5-9)13-11(15)7-6-10(12)14/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyCLTZRVZMEYYZRQ-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
CID 3325031
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-4-oxobutanoyl chloride?
The IUPAC name of 4-(4-methoxyanilino)-4-oxobutanoyl chloride (CID 82041607) is 4-(4-methoxyanilino)-4-oxobutanoyl chloride.
What is the SMILES notation for 4-(4-methoxyanilino)-4-oxobutanoyl chloride?
The canonical SMILES for 4-(4-methoxyanilino)-4-oxobutanoyl chloride is COc1ccc(NC(=O)CCC(=O)Cl)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-4-oxobutanoyl chloride?
The InChIKey is CLTZRVZMEYYZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-16-9-4-2-8(3-5-9)13-11(15)7-6-10(12)14/h2-5H,6-7H2,1H3,(H,13,15).
What are the key properties of 4-(4-methoxyanilino)-4-oxobutanoyl chloride?
4-(4-methoxyanilino)-4-oxobutanoyl chloride has a molecular weight of 241.67 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-4-oxobutanoyl chloride is sourced from PubChem (CID 82041607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).