N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide

C20H17F2NO3 — CID 42886908

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)C(C)c3ccc(F)c(F)c3)cc(=O)c2c1
InChIInChI=1S/C20H17F2NO3/c1-11-4-7-18-14(8-11)17(24)10-19(26-18)20(25)23(3)12(2)13-5-6-15(21)16(22)9-13/h4-10,12H,1-3H3
InChIKeyNADQGCYVHVFYQM-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.21
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide

N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 42886908) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide
PubChem CID42886908
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(C)C(C)c3ccc(F)c(F)c3)cc(=O)c2c1
InChIInChI=1S/C20H17F2NO3/c1-11-4-7-18-14(8-11)17(24)10-19(26-18)20(25)23(3)12(2)13-5-6-15(21)16(22)9-13/h4-10,12H,1-3H3
InChIKeyNADQGCYVHVFYQM-UHFFFAOYSA-N
XLogP4.21
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide (CID 42886908) is N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)N(C)C(C)c3ccc(F)c(F)c3)cc(=O)c2c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is NADQGCYVHVFYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3/c1-11-4-7-18-14(8-11)17(24)10-19(26-18)20(25)23(3)12(2)13-5-6-15(21)16(22)9-13/h4-10,12H,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N,6-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 42886908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).