N-(4-formyl-2-methylphenyl)formamide

C9H9NO2 — CID 144615218

IUPACN-(4-formyl-2-methylphenyl)formamide
SMILESCc1cc(C=O)ccc1NC=O
InChIInChI=1S/C9H9NO2/c1-7-4-8(5-11)2-3-9(7)10-6-12/h2-6H,1H3,(H,10,12)
InChIKeyFQBNXPBKYFRUMQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.38
Rot. Bonds3

About N-(4-formyl-2-methylphenyl)formamide

N-(4-formyl-2-methylphenyl)formamide (PubChem CID 144615218) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is N-(4-formyl-2-methylphenyl)formamide.

Molecular Properties

Compound NameN-(4-formyl-2-methylphenyl)formamide
PubChem CID144615218
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC NameN-(4-formyl-2-methylphenyl)formamide
SMILESCc1cc(C=O)ccc1NC=O
InChIInChI=1S/C9H9NO2/c1-7-4-8(5-11)2-3-9(7)10-6-12/h2-6H,1H3,(H,10,12)
InChIKeyFQBNXPBKYFRUMQ-UHFFFAOYSA-N
XLogP1.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)formamide
CID 64992173
3-methyl-4-(2-methylidenehydrazinyl)benzaldehyde
CID 143117219
N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide
CID 135294047
4-(2-formylanilino)-3-methylbenzaldehyde
CID 89300511
N-[4-(aminomethyl)-2-methylphenyl]formamide
CID 82502855
N-(5-formyl-2-methoxyphenyl)formamide
CID 168654093
N-(4-formylphenyl)formamide
CID 15314216
N-(4-formyl-2-methylphenyl)-3-methylbutanamide
CID 143315991
CID 142080212
CID 142080212
4-(bromomethyl)-3-methylbenzaldehyde
CID 134217544
4-amino-3-methylbenzaldehyde;3,4-dimethylbenzaldehyde
CID 161093718
N-(4-formyl-2-methylphenyl)dodecanamide
CID 54174472

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-2-methylphenyl)formamide?
The IUPAC name of N-(4-formyl-2-methylphenyl)formamide (CID 144615218) is N-(4-formyl-2-methylphenyl)formamide.
What is the SMILES notation for N-(4-formyl-2-methylphenyl)formamide?
The canonical SMILES for N-(4-formyl-2-methylphenyl)formamide is Cc1cc(C=O)ccc1NC=O.
What is the InChIKey of N-(4-formyl-2-methylphenyl)formamide?
The InChIKey is FQBNXPBKYFRUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-7-4-8(5-11)2-3-9(7)10-6-12/h2-6H,1H3,(H,10,12).
What are the key properties of N-(4-formyl-2-methylphenyl)formamide?
N-(4-formyl-2-methylphenyl)formamide has a molecular weight of 163.18 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-2-methylphenyl)formamide is sourced from PubChem (CID 144615218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).