3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide

C20H22ClFN2O3 — CID 113134445

IUPAC3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCOc1cc(Cl)c(C)cc1N(CCC(=O)NCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H22ClFN2O3/c1-13-10-18(19(27-3)11-17(13)21)24(14(2)25)9-8-20(26)23-12-15-4-6-16(22)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,26)
InChIKeyAWSODTMTSXZRCT-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.86
Rot. Bonds7

About 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide

3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 113134445) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID113134445
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide
SMILESCOc1cc(Cl)c(C)cc1N(CCC(=O)NCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H22ClFN2O3/c1-13-10-18(19(27-3)11-17(13)21)24(14(2)25)9-8-20(26)23-12-15-4-6-16(22)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,26)
InChIKeyAWSODTMTSXZRCT-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
methyl 2-[acetyl-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131230
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113063961
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
CID 113134443
3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113124315

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide (CID 113134445) is 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide is COc1cc(Cl)c(C)cc1N(CCC(=O)NCc1ccc(F)cc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is AWSODTMTSXZRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-13-10-18(19(27-3)11-17(13)21)24(14(2)25)9-8-20(26)23-12-15-4-6-16(22)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,26).
What are the key properties of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide?
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 392.86 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113134445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).