3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide

C19H20Cl2N2O3 — CID 113127763

IUPAC3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C(C)=O)c1cc(Cl)ccc1C
InChIInChI=1S/C19H20Cl2N2O3/c1-12-4-5-15(21)11-17(12)23(13(2)24)9-8-19(25)22-16-10-14(20)6-7-18(16)26-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyVRAVUTPNSMODSY-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.69
Rot. Bonds6

About 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide

3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 113127763) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID113127763
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C(C)=O)c1cc(Cl)ccc1C
InChIInChI=1S/C19H20Cl2N2O3/c1-12-4-5-15(21)11-17(12)23(13(2)24)9-8-19(25)22-16-10-14(20)6-7-18(16)26-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyVRAVUTPNSMODSY-UHFFFAOYSA-N
XLogP4.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113130031
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113127770
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide (CID 113127763) is 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCN(C(C)=O)c1cc(Cl)ccc1C.
What is the InChIKey of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is VRAVUTPNSMODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-12-4-5-15(21)11-17(12)23(13(2)24)9-8-19(25)22-16-10-14(20)6-7-18(16)26-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 395.29 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 113127763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).