N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide

C16H14FNO2 — CID 64786881

IUPACN-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C16H14FNO2/c17-13-10-12(19)6-7-14(13)18-15(20)16(8-9-16)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,18,20)
InChIKeyOCJAJDPHDHIADD-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.20
Rot. Bonds3

About N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide

N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 64786881) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID64786881
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C16H14FNO2/c17-13-10-12(19)6-7-14(13)18-15(20)16(8-9-16)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,18,20)
InChIKeyOCJAJDPHDHIADD-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 99792370
N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134062088
N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 115661448
N-(2-fluoro-4-hydroxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740962
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 4135962
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 110439413
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide
CID 62878827

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide (CID 64786881) is N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(O)cc1F)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is OCJAJDPHDHIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-10-12(19)6-7-14(13)18-15(20)16(8-9-16)11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H,18,20).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide?
N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 271.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 64786881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).