N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide

C17H22ClN3O2 — CID 5411162

IUPACN-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide
SMILESCC[C@@H]1CCC/C1=N/NC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H22ClN3O2/c1-2-12-6-5-9-14(12)20-21-17(23)11-10-16(22)19-15-8-4-3-7-13(15)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,22)(H,21,23)/b20-14-/t12-/m1/s1
InChIKeyPFONKMQGMFULGE-KMCFQHSYSA-N
MW335.83 g/mol
LogP3.74
Rot. Bonds6

About N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide

N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide (PubChem CID 5411162) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide
PubChem CID5411162
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC NameN-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide
SMILESCC[C@@H]1CCC/C1=N/NC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H22ClN3O2/c1-2-12-6-5-9-14(12)20-21-17(23)11-10-16(22)19-15-8-4-3-7-13(15)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,22)(H,21,23)/b20-14-/t12-/m1/s1
InChIKeyPFONKMQGMFULGE-KMCFQHSYSA-N
XLogP3.74
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[(2R)-2-methylcyclohexylidene]amino]butanediamide
CID 6989422
N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
CID 4307619
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708
N-(2-chlorophenyl)-N'-[(E)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]butanediamide
CID 7323557
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide
CID 6530772
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079
N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide
CID 135418705
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide (CID 5411162) is N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide is CC[C@@H]1CCC/C1=N/NC(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide?
The InChIKey is PFONKMQGMFULGE-KMCFQHSYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-2-12-6-5-9-14(12)20-21-17(23)11-10-16(22)19-15-8-4-3-7-13(15)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,22)(H,21,23)/b20-14-/t12-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide?
N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide has a molecular weight of 335.83 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(Z)-[(2R)-2-ethylcyclopentylidene]amino]butanediamide is sourced from PubChem (CID 5411162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).