N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide

C18H17ClFNO — CID 53446614

IUPACN-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(c1ccc(Cl)cc1F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H17ClFNO/c19-15-8-9-17(16(20)12-15)21(13-22)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2
InChIKeyRAOFPHJPYYBWOQ-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.91
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide

N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide (PubChem CID 53446614) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide
PubChem CID53446614
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide
SMILESO=CN(c1ccc(Cl)cc1F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H17ClFNO/c19-15-8-9-17(16(20)12-15)21(13-22)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2
InChIKeyRAOFPHJPYYBWOQ-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide (CID 53446614) is N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide is O=CN(c1ccc(Cl)cc1F)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide?
The InChIKey is RAOFPHJPYYBWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-15-8-9-17(16(20)12-15)21(13-22)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2.
What are the key properties of N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide?
N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide has a molecular weight of 317.79 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-N-(1-phenylcyclopentyl)formamide is sourced from PubChem (CID 53446614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).