(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide

C22H18FNO — CID 7432802

IUPAC(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18FNO/c23-18-11-13-19(14-12-18)24-21(25)20-15-22(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,24,25)/t20-/m1/s1
InChIKeyPJGKZSZFRDCQRL-HXUWFJFHSA-N
MW331.39 g/mol
LogP4.77
Rot. Bonds4

About (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide

(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 7432802) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID7432802
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18FNO/c23-18-11-13-19(14-12-18)24-21(25)20-15-22(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,24,25)/t20-/m1/s1
InChIKeyPJGKZSZFRDCQRL-HXUWFJFHSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide (CID 7432802) is (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide is O=C(Nc1ccc(F)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is PJGKZSZFRDCQRL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18FNO/c23-18-11-13-19(14-12-18)24-21(25)20-15-22(20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,24,25)/t20-/m1/s1.
What are the key properties of (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7432802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).