2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide

C18H17FN2O2 — CID 73309390

IUPAC2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCOc1cccc(C=NNC(=O)C2CC2c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O2/c1-23-15-4-2-3-12(9-15)11-20-21-18(22)17-10-16(17)13-5-7-14(19)8-6-13/h2-9,11,16-17H,10H2,1H3,(H,21,22)
InChIKeyKUVXPEPWJFSYGS-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide (PubChem CID 73309390) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
PubChem CID73309390
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCOc1cccc(C=NNC(=O)C2CC2c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O2/c1-23-15-4-2-3-12(9-15)11-20-21-18(22)17-10-16(17)13-5-7-14(19)8-6-13/h2-9,11,16-17H,10H2,1H3,(H,21,22)
InChIKeyKUVXPEPWJFSYGS-UHFFFAOYSA-N
XLogP3.09
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.09
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

trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 5411900
trans-(1S,2S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5394841
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135472421
trans-(1S,2S)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6588159
trans-(1R,2R)-N-[(3-bromophenyl)methylideneamino]-2-(4-tert-butylphenyl)cyclopropane-1-carboxamide
CID 129440790
N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2832952
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5144254
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide
CID 66954386

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide (CID 73309390) is 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide is COc1cccc(C=NNC(=O)C2CC2c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is KUVXPEPWJFSYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-23-15-4-2-3-12(9-15)11-20-21-18(22)17-10-16(17)13-5-7-14(19)8-6-13/h2-9,11,16-17H,10H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 73309390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).