1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide

C18H16ClFN2O2 — CID 35694725

IUPAC1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H16ClFN2O2/c19-14-3-1-2-13(11-14)18(8-9-18)17(24)22-21-16(23)10-12-4-6-15(20)7-5-12/h1-7,11H,8-10H2,(H,21,23)(H,22,24)
InChIKeyUJNHEDYUMFPMRK-UHFFFAOYSA-N
MW346.79 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide

1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide (PubChem CID 35694725) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide
PubChem CID35694725
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H16ClFN2O2/c19-14-3-1-2-13(11-14)18(8-9-18)17(24)22-21-16(23)10-12-4-6-15(20)7-5-12/h1-7,11H,8-10H2,(H,21,23)(H,22,24)
InChIKeyUJNHEDYUMFPMRK-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438164
2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224522
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide
CID 134018216
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide?
The IUPAC name of 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide (CID 35694725) is 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide?
The InChIKey is UJNHEDYUMFPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-14-3-1-2-13(11-14)18(8-9-18)17(24)22-21-16(23)10-12-4-6-15(20)7-5-12/h1-7,11H,8-10H2,(H,21,23)(H,22,24).
What are the key properties of 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide?
1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide has a molecular weight of 346.79 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 35694725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).