N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C19H17FN2O — CID 56811633

IUPACN-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C19H17FN2O/c1-13(15-4-2-14(12-21)3-5-15)22-18(23)19(10-11-19)16-6-8-17(20)9-7-16/h2-9,13H,10-11H2,1H3,(H,22,23)
InChIKeyOODCTBFFBAKJKU-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.61
Rot. Bonds4

About N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 56811633) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID56811633
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C19H17FN2O/c1-13(15-4-2-14(12-21)3-5-15)22-18(23)19(10-11-19)16-6-8-17(20)9-7-16/h2-9,13H,10-11H2,1H3,(H,22,23)
InChIKeyOODCTBFFBAKJKU-UHFFFAOYSA-N
XLogP3.61
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 30840348
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
1-cyano-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 61459924
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527808
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502263
1-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 79252560
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
N-[1-(4-fluorophenyl)ethyl]-4-imino-1-phenylcycloheptane-1-carboxamide
CID 90916654

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 56811633) is N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is OODCTBFFBAKJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-13(15-4-2-14(12-21)3-5-15)22-18(23)19(10-11-19)16-6-8-17(20)9-7-16/h2-9,13H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56811633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).