N-formyl-4-methoxybenzamide

C9H9NO3 — CID 10856056

IUPACN-formyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC=O)cc1
InChIInChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)9(12)10-6-11/h2-6H,1H3,(H,10,11,12)
InChIKeyJBDDQPPJWKYOLG-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.58
Rot. Bonds3

About N-formyl-4-methoxybenzamide

N-formyl-4-methoxybenzamide (PubChem CID 10856056) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-formyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-formyl-4-methoxybenzamide
PubChem CID10856056
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC NameN-formyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC=O)cc1
InChIInChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)9(12)10-6-11/h2-6H,1H3,(H,10,11,12)
InChIKeyJBDDQPPJWKYOLG-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)ethenyl]formamide
CID 14117206
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
formic acid;methyl 4-methoxybenzoate
CID 159779883
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide
CID 132547490
3-(4-methoxyphenyl)-2,2-dimethyl-3-oxopropanal
CID 121013341
N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
CID 72970930
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
4-methoxy-N-penta-1,4-dien-3-ylbenzamide
CID 138979446
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-methoxybenzamide?
The IUPAC name of N-formyl-4-methoxybenzamide (CID 10856056) is N-formyl-4-methoxybenzamide.
What is the SMILES notation for N-formyl-4-methoxybenzamide?
The canonical SMILES for N-formyl-4-methoxybenzamide is COc1ccc(C(=O)NC=O)cc1.
What is the InChIKey of N-formyl-4-methoxybenzamide?
The InChIKey is JBDDQPPJWKYOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-8-4-2-7(3-5-8)9(12)10-6-11/h2-6H,1H3,(H,10,11,12).
What are the key properties of N-formyl-4-methoxybenzamide?
N-formyl-4-methoxybenzamide has a molecular weight of 179.17 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-methoxybenzamide is sourced from PubChem (CID 10856056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).