N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide

C21H23ClN2O3 — CID 113130830

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide
SMILESCC(=O)c1ccc(N(CCC(=O)NCCc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C21H23ClN2O3/c1-15(25)18-5-9-20(10-6-18)24(16(2)26)14-12-21(27)23-13-11-17-3-7-19(22)8-4-17/h3-10H,11-14H2,1-2H3,(H,23,27)
InChIKeyNPKDVMWGPKGFFX-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.64
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide (PubChem CID 113130830) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide
PubChem CID113130830
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide
SMILESCC(=O)c1ccc(N(CCC(=O)NCCc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C21H23ClN2O3/c1-15(25)18-5-9-20(10-6-18)24(16(2)26)14-12-21(27)23-13-11-17-3-7-19(22)8-4-17/h3-10H,11-14H2,1-2H3,(H,23,27)
InChIKeyNPKDVMWGPKGFFX-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176399
3-(N,4-diacetylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113130817
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
3-(N,4-diacetylanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 113130831
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide (CID 113130830) is N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide is CC(=O)c1ccc(N(CCC(=O)NCCc2ccc(Cl)cc2)C(C)=O)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide?
The InChIKey is NPKDVMWGPKGFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-15(25)18-5-9-20(10-6-18)24(16(2)26)14-12-21(27)23-13-11-17-3-7-19(22)8-4-17/h3-10H,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide has a molecular weight of 386.88 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide is sourced from PubChem (CID 113130830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).