N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide

C19H18ClN3O2 — CID 113064122

IUPACN-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)c1ccccc1C#N
InChIInChI=1S/C19H18ClN3O2/c1-14(24)23(18-5-3-2-4-16(18)13-21)11-10-22-19(25)12-15-6-8-17(20)9-7-15/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyYGFZTSCXBRVBOU-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide

N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113064122) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID113064122
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)c1ccccc1C#N
InChIInChI=1S/C19H18ClN3O2/c1-14(24)23(18-5-3-2-4-16(18)13-21)11-10-22-19(25)12-15-6-8-17(20)9-7-15/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyYGFZTSCXBRVBOU-UHFFFAOYSA-N
XLogP2.92
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113134668
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064446
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113058887
3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113134695
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N-[2-(N-acetyl-2-cyanoanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 113064117
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113054765
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113063627
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide (CID 113064122) is N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)c1ccccc1C#N.
What is the InChIKey of N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is YGFZTSCXBRVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-14(24)23(18-5-3-2-4-16(18)13-21)11-10-22-19(25)12-15-6-8-17(20)9-7-15/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113064122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).