N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide

C17H14FNO2 — CID 118494882

IUPACN-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide
SMILESO=Cc1ccc(-c2ccc(NC(=O)C3CC3)cc2)cc1F
InChIInChI=1S/C17H14FNO2/c18-16-9-13(3-4-14(16)10-20)11-5-7-15(8-6-11)19-17(21)12-1-2-12/h3-10,12H,1-2H2,(H,19,21)
InChIKeyNVFANMKARYISLP-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.65
Rot. Bonds4

About N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide

N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide (PubChem CID 118494882) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide
PubChem CID118494882
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC NameN-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide
SMILESO=Cc1ccc(-c2ccc(NC(=O)C3CC3)cc2)cc1F
InChIInChI=1S/C17H14FNO2/c18-16-9-13(3-4-14(16)10-20)11-5-7-15(8-6-11)19-17(21)12-1-2-12/h3-10,12H,1-2H2,(H,19,21)
InChIKeyNVFANMKARYISLP-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
(3-fluoro-4-formylphenyl)carbamic acid
CID 91366122
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
N-(3-fluoro-4-hydroxyphenyl)cyclobutanecarboxamide
CID 64781438
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide (CID 118494882) is N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide is O=Cc1ccc(-c2ccc(NC(=O)C3CC3)cc2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide?
The InChIKey is NVFANMKARYISLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-16-9-13(3-4-14(16)10-20)11-5-7-15(8-6-11)19-17(21)12-1-2-12/h3-10,12H,1-2H2,(H,19,21).
What are the key properties of N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide?
N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide has a molecular weight of 283.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 118494882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).