N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide

C11H11ClN2O — CID 5334576

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)C1CC1
InChIInChI=1S/C11H11ClN2O/c12-10-4-2-1-3-9(10)7-13-14-11(15)8-5-6-8/h1-4,7-8H,5-6H2,(H,14,15)/b13-7+
InChIKeyUYQCSWQEDZFNIQ-NTUHNPAUSA-N
MW222.68 g/mol
LogP2.20
Rot. Bonds3

About N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 5334576) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID5334576
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)C1CC1
InChIInChI=1S/C11H11ClN2O/c12-10-4-2-1-3-9(10)7-13-14-11(15)8-5-6-8/h1-4,7-8H,5-6H2,(H,14,15)/b13-7+
InChIKeyUYQCSWQEDZFNIQ-NTUHNPAUSA-N
XLogP2.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.20
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

1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420026
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]cyclopropanecarboxamide
CID 9234678
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
1-(2-chlorobenzoyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126014244
(3R)-1-(4-bromophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126162846

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide (CID 5334576) is N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C/c1ccccc1Cl)C1CC1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is UYQCSWQEDZFNIQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-10-4-2-1-3-9(10)7-13-14-11(15)8-5-6-8/h1-4,7-8H,5-6H2,(H,14,15)/b13-7+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 222.68 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 5334576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).