3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide

C18H17Cl2N3O — CID 109033435

IUPAC3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
SMILESN#Cc1ccccc1NCCC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O/c19-15-6-5-13(16(20)11-15)7-9-23-18(24)8-10-22-17-4-2-1-3-14(17)12-21/h1-6,11,22H,7-10H2,(H,23,24)
InChIKeyYQJKADMHTJTURV-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.03
Rot. Bonds7

About 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide

3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 109033435) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID109033435
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
SMILESN#Cc1ccccc1NCCC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O/c19-15-6-5-13(16(20)11-15)7-9-23-18(24)8-10-22-17-4-2-1-3-14(17)12-21/h1-6,11,22H,7-10H2,(H,23,24)
InChIKeyYQJKADMHTJTURV-UHFFFAOYSA-N
XLogP4.03
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033422
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 2435297
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
CID 108952631
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000386
3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
CID 109038857
3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
CID 109038248
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide (CID 109033435) is 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide is N#Cc1ccccc1NCCC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is YQJKADMHTJTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c19-15-6-5-13(16(20)11-15)7-9-23-18(24)8-10-22-17-4-2-1-3-14(17)12-21/h1-6,11,22H,7-10H2,(H,23,24).
What are the key properties of 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 362.26 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 109033435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).