2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide

C18H17ClN2OS — CID 16719201

IUPAC2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCSc1cccc(/C=N/NC(=O)C2CC2c2cccc(Cl)c2)c1
InChIInChI=1S/C18H17ClN2OS/c1-23-15-7-2-4-12(8-15)11-20-21-18(22)17-10-16(17)13-5-3-6-14(19)9-13/h2-9,11,16-17H,10H2,1H3,(H,21,22)/b20-11+
InChIKeyVYHCZWZMDHSLEM-RGVLZGJSSA-N
MW344.87 g/mol
LogP4.32
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide (PubChem CID 16719201) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide
PubChem CID16719201
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC Name2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCSc1cccc(/C=N/NC(=O)C2CC2c2cccc(Cl)c2)c1
InChIInChI=1S/C18H17ClN2OS/c1-23-15-7-2-4-12(8-15)11-20-21-18(22)17-10-16(17)13-5-3-6-14(19)9-13/h2-9,11,16-17H,10H2,1H3,(H,21,22)/b20-11+
InChIKeyVYHCZWZMDHSLEM-RGVLZGJSSA-N
XLogP4.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
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-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2832952
trans-(1S,2S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5394841
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 5411900
2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 73309390
N-[(3-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2828223
2-(3-fluorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719251
trans-(1R,2R)-N-[(3-bromophenyl)methylideneamino]-2-(4-tert-butylphenyl)cyclopropane-1-carboxamide
CID 129440790
cis-(1S,2R)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7452524
N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6736120
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
2-(4-tert-butylphenyl)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135647151

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide (CID 16719201) is 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide is CSc1cccc(/C=N/NC(=O)C2CC2c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is VYHCZWZMDHSLEM-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c1-23-15-7-2-4-12(8-15)11-20-21-18(22)17-10-16(17)13-5-3-6-14(19)9-13/h2-9,11,16-17H,10H2,1H3,(H,21,22)/b20-11+.
What are the key properties of 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 344.87 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(E)-(3-methylsulfanylphenyl)methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 16719201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).