naphthalene-1-carbonitrile;naphthalene-1-carboxamide

C22H16N2O — CID 158583928

IUPACnaphthalene-1-carbonitrile;naphthalene-1-carboxamide
SMILESN#Cc1cccc2ccccc12.NC(=O)c1cccc2ccccc12
InChIInChI=1S/C11H9NO.C11H7N/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,(H2,12,13);1-7H
InChIKeyHTPAGZRSTZGYCC-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.65
Rot. Bonds1

About naphthalene-1-carbonitrile;naphthalene-1-carboxamide

naphthalene-1-carbonitrile;naphthalene-1-carboxamide (PubChem CID 158583928) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is naphthalene-1-carbonitrile;naphthalene-1-carboxamide.

Molecular Properties

Compound Namenaphthalene-1-carbonitrile;naphthalene-1-carboxamide
PubChem CID158583928
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Namenaphthalene-1-carbonitrile;naphthalene-1-carboxamide
SMILESN#Cc1cccc2ccccc12.NC(=O)c1cccc2ccccc12
InChIInChI=1S/C11H9NO.C11H7N/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,(H2,12,13);1-7H
InChIKeyHTPAGZRSTZGYCC-UHFFFAOYSA-N
XLogP4.65
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 129133768
CID 129133768
naphthalene-1-carbonitrile;sulfane
CID 175607355
cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate
CID 67432245
copper;naphthalene-1-carbonitrile;diformate
CID 175354271
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
naphthalene-1-carbonyl iodide
CID 87393513
cyanomethyl naphthalene-1-carboxylate
CID 2477503
2-(1-naphthalen-1-ylprop-2-ynyl)benzamide
CID 175878898
10-aminoanthracene-1-carboxamide
CID 23131366
2-amino-3-(2-cyano-N-methylanilino)benzamide
CID 115546642
2-sulfanylideneethyl 2-naphthalen-1-ylprop-2-enoate
CID 90865216
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620

Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbonitrile;naphthalene-1-carboxamide?
The IUPAC name of naphthalene-1-carbonitrile;naphthalene-1-carboxamide (CID 158583928) is naphthalene-1-carbonitrile;naphthalene-1-carboxamide.
What is the SMILES notation for naphthalene-1-carbonitrile;naphthalene-1-carboxamide?
The canonical SMILES for naphthalene-1-carbonitrile;naphthalene-1-carboxamide is N#Cc1cccc2ccccc12.NC(=O)c1cccc2ccccc12.
What is the InChIKey of naphthalene-1-carbonitrile;naphthalene-1-carboxamide?
The InChIKey is HTPAGZRSTZGYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.C11H7N/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,(H2,12,13);1-7H.
What are the key properties of naphthalene-1-carbonitrile;naphthalene-1-carboxamide?
naphthalene-1-carbonitrile;naphthalene-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbonitrile;naphthalene-1-carboxamide is sourced from PubChem (CID 158583928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).