N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

C20H21ClN4O2 — CID 2699929

IUPACN-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c1-13-5-4-6-14(2)20(13)24-19(27)12-25(3)11-18(26)23-16-8-7-15(10-22)17(21)9-16/h4-9H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLZGMNHBDFQFUCC-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.34
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 2699929) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID2699929
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c1-13-5-4-6-14(2)20(13)24-19(27)12-25(3)11-18(26)23-16-8-7-15(10-22)17(21)9-16/h4-9H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLZGMNHBDFQFUCC-UHFFFAOYSA-N
XLogP3.34
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 2699929) is N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is LZGMNHBDFQFUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-13-5-4-6-14(2)20(13)24-19(27)12-25(3)11-18(26)23-16-8-7-15(10-22)17(21)9-16/h4-9H,11-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 384.87 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 2699929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).