N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide

C20H22ClN3O3 — CID 113061827

IUPACN-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CCNC(=O)Cc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C20H22ClN3O3/c1-14(25)23-18-7-9-19(10-8-18)24(15(2)26)12-11-22-20(27)13-16-3-5-17(21)6-4-16/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyBPTINBIBUGVCLA-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide

N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113061827) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID113061827
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(N(CCNC(=O)Cc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C20H22ClN3O3/c1-14(25)23-18-7-9-19(10-8-18)24(15(2)26)12-11-22-20(27)13-16-3-5-17(21)6-4-16/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyBPTINBIBUGVCLA-UHFFFAOYSA-N
XLogP3.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113062967
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113058887
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064446
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide (CID 113061827) is N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide is CC(=O)Nc1ccc(N(CCNC(=O)Cc2ccc(Cl)cc2)C(C)=O)cc1.
What is the InChIKey of N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is BPTINBIBUGVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-14(25)23-18-7-9-19(10-8-18)24(15(2)26)12-11-22-20(27)13-16-3-5-17(21)6-4-16/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 387.87 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113061827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).