N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide

C16H13ClFNO — CID 2933451

IUPACN-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CC1c1ccccc1
InChIInChI=1S/C16H13ClFNO/c17-11-6-7-15(14(18)8-11)19-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,19,20)
InChIKeyHQAZXJLSLRJHCB-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.22
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide

N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2933451) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2933451
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CC1c1ccccc1
InChIInChI=1S/C16H13ClFNO/c17-11-6-7-15(14(18)8-11)19-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,19,20)
InChIKeyHQAZXJLSLRJHCB-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide (CID 2933451) is N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)cc1F)C1CC1c1ccccc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HQAZXJLSLRJHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-11-6-7-15(14(18)8-11)19-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,19,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 289.74 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2933451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).