5-chloro-3-methylnaphthalene-2-carboxamide

C12H10ClNO — CID 20773242

IUPAC5-chloro-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2c(Cl)cccc2cc1C(N)=O
InChIInChI=1S/C12H10ClNO/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15/h2-6H,1H3,(H2,14,15)
InChIKeyWZPIMDPHOIWSGA-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.90
Rot. Bonds1

About 5-chloro-3-methylnaphthalene-2-carboxamide

5-chloro-3-methylnaphthalene-2-carboxamide (PubChem CID 20773242) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 5-chloro-3-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methylnaphthalene-2-carboxamide
PubChem CID20773242
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name5-chloro-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2c(Cl)cccc2cc1C(N)=O
InChIInChI=1S/C12H10ClNO/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15/h2-6H,1H3,(H2,14,15)
InChIKeyWZPIMDPHOIWSGA-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-amino-3-methylnaphthalene-2-carboxamide
CID 21300607
5-chloro-3-methylnaphthalen-2-amine
CID 142250100
5-chloro-2,4-dimethylbenzamide
CID 82551019
5-chloro-3-methylnaphthalene-2-sulfonamide
CID 20773244
bis(5-chloroanthracen-1-yl)methanone
CID 175330463
3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide
CID 146581009
1-chloro-7-methyl-6-methylsulfonylnaphthalene
CID 20773091
5-methylnaphthalene-2-carboxamide
CID 89351493
1-amino-7-methylisoquinoline-6-carboxamide;6,7-dimethylisoquinolin-1-amine
CID 91081675
2,3-dichlorobenzamide;hydron
CID 69226563
5-chloro-4-iodo-2-methylbenzamide
CID 171003750
4-chloro-5-iodo-2-methylbenzamide
CID 171003552

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylnaphthalene-2-carboxamide?
The IUPAC name of 5-chloro-3-methylnaphthalene-2-carboxamide (CID 20773242) is 5-chloro-3-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methylnaphthalene-2-carboxamide?
The canonical SMILES for 5-chloro-3-methylnaphthalene-2-carboxamide is Cc1cc2c(Cl)cccc2cc1C(N)=O.
What is the InChIKey of 5-chloro-3-methylnaphthalene-2-carboxamide?
The InChIKey is WZPIMDPHOIWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15/h2-6H,1H3,(H2,14,15).
What are the key properties of 5-chloro-3-methylnaphthalene-2-carboxamide?
5-chloro-3-methylnaphthalene-2-carboxamide has a molecular weight of 219.67 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 20773242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).