N-(4-methylnaphthalen-1-yl)formamide

C12H11NO — CID 72513878

IUPACN-(4-methylnaphthalen-1-yl)formamide
SMILESCc1ccc(NC=O)c2ccccc12
InChIInChI=1S/C12H11NO/c1-9-6-7-12(13-8-14)11-5-3-2-4-10(9)11/h2-8H,1H3,(H,13,14)
InChIKeyOFHDBGZYBGGSBZ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.72
Rot. Bonds2

About N-(4-methylnaphthalen-1-yl)formamide

N-(4-methylnaphthalen-1-yl)formamide (PubChem CID 72513878) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(4-methylnaphthalen-1-yl)formamide.

Molecular Properties

Compound NameN-(4-methylnaphthalen-1-yl)formamide
PubChem CID72513878
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC NameN-(4-methylnaphthalen-1-yl)formamide
SMILESCc1ccc(NC=O)c2ccccc12
InChIInChI=1S/C12H11NO/c1-9-6-7-12(13-8-14)11-5-3-2-4-10(9)11/h2-8H,1H3,(H,13,14)
InChIKeyOFHDBGZYBGGSBZ-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylnaphthalen-1-yl)formamide?
The IUPAC name of N-(4-methylnaphthalen-1-yl)formamide (CID 72513878) is N-(4-methylnaphthalen-1-yl)formamide.
What is the SMILES notation for N-(4-methylnaphthalen-1-yl)formamide?
The canonical SMILES for N-(4-methylnaphthalen-1-yl)formamide is Cc1ccc(NC=O)c2ccccc12.
What is the InChIKey of N-(4-methylnaphthalen-1-yl)formamide?
The InChIKey is OFHDBGZYBGGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9-6-7-12(13-8-14)11-5-3-2-4-10(9)11/h2-8H,1H3,(H,13,14).
What are the key properties of N-(4-methylnaphthalen-1-yl)formamide?
N-(4-methylnaphthalen-1-yl)formamide has a molecular weight of 185.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylnaphthalen-1-yl)formamide is sourced from PubChem (CID 72513878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).