3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide

C18H20ClN3O2 — CID 109038281

IUPAC3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12-16(19)4-3-5-17(12)22-18(24)10-11-20-14-6-8-15(9-7-14)21-13(2)23/h3-9,20H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHJOMGXTXLIVLNR-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.05
Rot. Bonds6

About 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide

3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 109038281) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID109038281
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12-16(19)4-3-5-17(12)22-18(24)10-11-20-14-6-8-15(9-7-14)21-13(2)23/h3-9,20H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHJOMGXTXLIVLNR-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-[4-(dimethylamino)anilino]propanamide
CID 109038286
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036840
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide (CID 109038281) is 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide is CC(=O)Nc1ccc(NCCC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is HJOMGXTXLIVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-16(19)4-3-5-17(12)22-18(24)10-11-20-14-6-8-15(9-7-14)21-13(2)23/h3-9,20H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide?
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109038281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).