2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide

C15H15Cl2N3O2 — CID 99785550

IUPAC2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide
SMILESN#C[C@@H]1CC[C@H](NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H15Cl2N3O2/c16-10-2-4-12(13(17)6-10)15(22)19-8-14(21)20-11-3-1-9(5-11)7-18/h2,4,6,9,11H,1,3,5,8H2,(H,19,22)(H,20,21)/t9-,11+/m1/s1
InChIKeyXWZFQZTYFHXDQT-KOLCDFICSA-N
MW340.21 g/mol
LogP2.53
Rot. Bonds4

About 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide (PubChem CID 99785550) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide
PubChem CID99785550
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide
SMILESN#C[C@@H]1CC[C@H](NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H15Cl2N3O2/c16-10-2-4-12(13(17)6-10)15(22)19-8-14(21)20-11-3-1-9(5-11)7-18/h2,4,6,9,11H,1,3,5,8H2,(H,19,22)(H,20,21)/t9-,11+/m1/s1
InChIKeyXWZFQZTYFHXDQT-KOLCDFICSA-N
XLogP2.53
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
CID 86796965
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 46520269
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
2,4-dichloro-N-[2-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 86964460
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
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
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843849

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide (CID 99785550) is 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide is N#C[C@@H]1CC[C@H](NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide?
The InChIKey is XWZFQZTYFHXDQT-KOLCDFICSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-10-2-4-12(13(17)6-10)15(22)19-8-14(21)20-11-3-1-9(5-11)7-18/h2,4,6,9,11H,1,3,5,8H2,(H,19,22)(H,20,21)/t9-,11+/m1/s1.
What are the key properties of 2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide has a molecular weight of 340.21 g/mol, XLogP of 2.53, 4 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-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 99785550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).