N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide

C14H17ClN2O — CID 25237608

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-10(11-6-8-13(15)9-7-11)16-17-14(18)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,17,18)/b16-10+
InChIKeyRBMUBAYHBUBLMR-MHWRWJLKSA-N
MW264.76 g/mol
LogP3.37
Rot. Bonds3

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide

N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide (PubChem CID 25237608) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
PubChem CID25237608
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-10(11-6-8-13(15)9-7-11)16-17-14(18)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,17,18)/b16-10+
InChIKeyRBMUBAYHBUBLMR-MHWRWJLKSA-N
XLogP3.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237610
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide
CID 24818445
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 9234157
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide (CID 25237608) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide is C/C(=N\NC(=O)C1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide?
The InChIKey is RBMUBAYHBUBLMR-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10(11-6-8-13(15)9-7-11)16-17-14(18)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).