N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide

C20H23ClN4O3 — CID 2538951

IUPACN-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN4O3/c1-3-25(13-20(28)24-18-6-4-5-15(21)11-18)12-19(27)23-17-9-7-16(8-10-17)22-14(2)26/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyCBXWILHNQPIUNV-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.20
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide

N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 2538951) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
PubChem CID2538951
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN4O3/c1-3-25(13-20(28)24-18-6-4-5-15(21)11-18)12-19(27)23-17-9-7-16(8-10-17)22-14(2)26/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyCBXWILHNQPIUNV-UHFFFAOYSA-N
XLogP3.20
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanaminium, N,N-dimethyl-2-oxo-N-(2-oxo-2-(phenylamino)ethyl)-2-(phenylamino)-, chloride (1:1)
CID 13966
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
N-(4-{[N-(3-chlorophenyl)carbamoyl]amino}phenyl)acetamide
CID 736092
N-(3-chlorophenyl)-2-pyrrolidinylacetamide, chloride
CID 2917131
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
Clodacaine
CID 58616
N-(3-chlorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 558417
2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1364364
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2115027
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide (CID 2538951) is N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is CBXWILHNQPIUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-3-25(13-20(28)24-18-6-4-5-15(21)11-18)12-19(27)23-17-9-7-16(8-10-17)22-14(2)26/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 402.88 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[2-(3-chloroanilino)-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 2538951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).