3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide

C19H18ClN3O2 — CID 113134685

IUPAC3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccccc1C#N
InChIInChI=1S/C19H18ClN3O2/c1-14(24)23(18-5-3-2-4-16(18)12-21)11-10-19(25)22-13-15-6-8-17(20)9-7-15/h2-9H,10-11,13H2,1H3,(H,22,25)
InChIKeyKCSCHIGJWOYXMZ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.27
Rot. Bonds6

About 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide

3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 113134685) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID113134685
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccccc1C#N
InChIInChI=1S/C19H18ClN3O2/c1-14(24)23(18-5-3-2-4-16(18)12-21)11-10-19(25)22-13-15-6-8-17(20)9-7-15/h2-9H,10-11,13H2,1H3,(H,22,25)
InChIKeyKCSCHIGJWOYXMZ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064122
N-[(4-chlorophenyl)methyl]-3-(2-cyano-N-methylsulfonylanilino)propanamide
CID 113146730
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113134668
3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113134686
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113134695
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
3-(2-cyano-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113146724

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide (CID 113134685) is 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccccc1C#N.
What is the InChIKey of 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is KCSCHIGJWOYXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-14(24)23(18-5-3-2-4-16(18)12-21)11-10-19(25)22-13-15-6-8-17(20)9-7-15/h2-9H,10-11,13H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide?
3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 355.83 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113134685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).