2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide

C14H13Cl2N3O2 — CID 86796965

IUPAC2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
SMILESN#CC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C14H13Cl2N3O2/c15-9-3-4-10(11(16)5-9)14(21)18-7-13(20)19-12(6-17)8-1-2-8/h3-5,8,12H,1-2,7H2,(H,18,21)(H,19,20)
InChIKeyJRYKJPAJFKQKNA-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.14
Rot. Bonds5

About 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 86796965) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID86796965
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
SMILESN#CC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C14H13Cl2N3O2/c15-9-3-4-10(11(16)5-9)14(21)18-7-13(20)19-12(6-17)8-1-2-8/h3-5,8,12H,1-2,7H2,(H,18,21)(H,19,20)
InChIKeyJRYKJPAJFKQKNA-UHFFFAOYSA-N
XLogP2.14
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[cyano(cyclopropyl)methyl]-4-fluorobenzamide
CID 63821612
2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide
CID 99785550
5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
CID 113233627
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843849
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
2,4-dichloro-N-[2-[(2-cyanoacetyl)amino]ethyl]benzamide
CID 108570422
2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide
CID 86797002
2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 32866960

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide (CID 86796965) is 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide is N#CC(NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is JRYKJPAJFKQKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c15-9-3-4-10(11(16)5-9)14(21)18-7-13(20)19-12(6-17)8-1-2-8/h3-5,8,12H,1-2,7H2,(H,18,21)(H,19,20).
What are the key properties of 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 326.18 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86796965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).