7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide

C12H9ClFNO — CID 20595195

IUPAC7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2cc(F)c(Cl)cc2cc1C(N)=O
InChIInChI=1S/C12H9ClFNO/c1-6-2-7-5-11(14)10(13)4-8(7)3-9(6)12(15)16/h2-5H,1H3,(H2,15,16)
InChIKeyIPWGIKXNXIDONB-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.04
Rot. Bonds1

About 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide

7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide (PubChem CID 20595195) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide
PubChem CID20595195
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2cc(F)c(Cl)cc2cc1C(N)=O
InChIInChI=1S/C12H9ClFNO/c1-6-2-7-5-11(14)10(13)4-8(7)3-9(6)12(15)16/h2-5H,1H3,(H2,15,16)
InChIKeyIPWGIKXNXIDONB-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide?
The IUPAC name of 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide (CID 20595195) is 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide is Cc1cc2cc(F)c(Cl)cc2cc1C(N)=O.
What is the InChIKey of 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide?
The InChIKey is IPWGIKXNXIDONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c1-6-2-7-5-11(14)10(13)4-8(7)3-9(6)12(15)16/h2-5H,1H3,(H2,15,16).
What are the key properties of 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide?
7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide has a molecular weight of 237.66 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-3-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 20595195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).