N-(3,5-dimethylphenyl)formamide

C9H11NO — CID 4165812

IUPACN-(3,5-dimethylphenyl)formamide
SMILESCc1cc(C)cc(NC=O)c1
InChIInChI=1S/C9H11NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-6H,1-2H3,(H,10,11)
InChIKeyLCESSMQSEVZGFQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.87
Rot. Bonds2

About N-(3,5-dimethylphenyl)formamide

N-(3,5-dimethylphenyl)formamide (PubChem CID 4165812) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)formamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)formamide
PubChem CID4165812
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-(3,5-dimethylphenyl)formamide
SMILESCc1cc(C)cc(NC=O)c1
InChIInChI=1S/C9H11NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-6H,1-2H3,(H,10,11)
InChIKeyLCESSMQSEVZGFQ-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.87
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-(3,5-dimethylphenyl)formamide?
The IUPAC name of N-(3,5-dimethylphenyl)formamide (CID 4165812) is N-(3,5-dimethylphenyl)formamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)formamide?
The canonical SMILES for N-(3,5-dimethylphenyl)formamide is Cc1cc(C)cc(NC=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)formamide?
The InChIKey is LCESSMQSEVZGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(3,5-dimethylphenyl)formamide?
N-(3,5-dimethylphenyl)formamide has a molecular weight of 149.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)formamide is sourced from PubChem (CID 4165812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).