2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide

C15H17Cl2N3O — CID 124847741

IUPAC2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1
InChIInChI=1S/C15H17Cl2N3O/c1-20(12-4-2-10(6-12)8-18)9-15(21)19-11-3-5-13(16)14(17)7-11/h3,5,7,10,12H,2,4,6,9H2,1H3,(H,19,21)/t10-,12+/m1/s1
InChIKeyLMIPLPGKECCNOY-PWSUYJOCSA-N
MW326.23 g/mol
LogP3.56
Rot. Bonds4

About 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide

2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 124847741) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID124847741
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1
InChIInChI=1S/C15H17Cl2N3O/c1-20(12-4-2-10(6-12)8-18)9-15(21)19-11-3-5-13(16)14(17)7-11/h3,5,7,10,12H,2,4,6,9H2,1H3,(H,19,21)/t10-,12+/m1/s1
InChIKeyLMIPLPGKECCNOY-PWSUYJOCSA-N
XLogP3.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R,3S)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847739
2-[[(1R,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 124847742
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9198274
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 116652760
2-[3-cyanopropyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 17415308
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
CID 91843440
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide (CID 124847741) is 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H](C#N)C1.
What is the InChIKey of 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is LMIPLPGKECCNOY-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-20(12-4-2-10(6-12)8-18)9-15(21)19-11-3-5-13(16)14(17)7-11/h3,5,7,10,12H,2,4,6,9H2,1H3,(H,19,21)/t10-,12+/m1/s1.
What are the key properties of 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide?
2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 326.23 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3R)-3-cyanocyclopentyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 124847741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).