3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide

C19H21Cl2N3O2 — CID 109033424

IUPAC3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-13(25)24-17-6-4-16(5-7-17)22-11-9-19(26)23-10-8-14-2-3-15(20)12-18(14)21/h2-7,12,22H,8-11H2,1H3,(H,23,26)(H,24,25)
InChIKeySYQICCUUKVMSRA-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.11
Rot. Bonds8

About 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide

3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 109033424) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID109033424
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-13(25)24-17-6-4-16(5-7-17)22-11-9-19(26)23-10-8-14-2-3-15(20)12-18(14)21/h2-7,12,22H,8-11H2,1H3,(H,23,26)(H,24,25)
InChIKeySYQICCUUKVMSRA-UHFFFAOYSA-N
XLogP4.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033422
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
CID 109033478
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
CID 109033457
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide (CID 109033424) is 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide is CC(=O)Nc1ccc(NCCC(=O)NCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is SYQICCUUKVMSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-13(25)24-17-6-4-16(5-7-17)22-11-9-19(26)23-10-8-14-2-3-15(20)12-18(14)21/h2-7,12,22H,8-11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 394.30 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 109033424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).