N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide

C18H18FNO — CID 155944841

IUPACN-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C)CC2)cc1F
InChIInChI=1S/C18H18FNO/c1-12-5-3-4-6-15(12)18(9-10-18)17(21)20-14-8-7-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyDGGQEHLCMIWVRE-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.11
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide

N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 155944841) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID155944841
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccccc3C)CC2)cc1F
InChIInChI=1S/C18H18FNO/c1-12-5-3-4-6-15(12)18(9-10-18)17(21)20-14-8-7-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyDGGQEHLCMIWVRE-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide (CID 155944841) is N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccccc3C)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is DGGQEHLCMIWVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-12-5-3-4-6-15(12)18(9-10-18)17(21)20-14-8-7-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 155944841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).