3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide

C16H13Cl2N3O — CID 109042647

IUPAC3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
SMILESN#Cc1cccc(NCCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2N3O/c17-12-4-5-15(14(18)9-12)21-16(22)6-7-20-13-3-1-2-11(8-13)10-19/h1-5,8-9,20H,6-7H2,(H,21,22)
InChIKeyPVDQLQWUMKGEIG-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.31
Rot. Bonds5

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

3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide (PubChem CID 109042647) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
PubChem CID109042647
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
SMILESN#Cc1cccc(NCCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2N3O/c17-12-4-5-15(14(18)9-12)21-16(22)6-7-20-13-3-1-2-11(8-13)10-19/h1-5,8-9,20H,6-7H2,(H,21,22)
InChIKeyPVDQLQWUMKGEIG-UHFFFAOYSA-N
XLogP4.31
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
3-(3-cyanoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042830
N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
CID 51183160
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968
3-[(4-chlorophenyl)methylamino]-N-(3-cyanophenyl)propanamide
CID 109021937
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
CID 109038091

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide (CID 109042647) is 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide is N#Cc1cccc(NCCC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is PVDQLQWUMKGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-12-4-5-15(14(18)9-12)21-16(22)6-7-20-13-3-1-2-11(8-13)10-19/h1-5,8-9,20H,6-7H2,(H,21,22).
What are the key properties of 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide?
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 334.21 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 109042647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).