N-formyl-N-phenylformamide

C8H7NO2 — CID 11137329

IUPACN-formyl-N-phenylformamide
SMILESO=CN(C=O)c1ccccc1
InChIInChI=1S/C8H7NO2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H
InChIKeyBQLGYWVIAOPDRI-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.81
Rot. Bonds3

About N-formyl-N-phenylformamide

N-formyl-N-phenylformamide (PubChem CID 11137329) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is N-formyl-N-phenylformamide.

Molecular Properties

Compound NameN-formyl-N-phenylformamide
PubChem CID11137329
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC NameN-formyl-N-phenylformamide
SMILESO=CN(C=O)c1ccccc1
InChIInChI=1S/C8H7NO2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H
InChIKeyBQLGYWVIAOPDRI-UHFFFAOYSA-N
XLogP0.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylaniline
CID 949
Formanilide
CID 7671
N-Phenylmaleimide
CID 13662
Diphenylformamide
CID 69081
Butylacetanilide
CID 7051
N-Methylformanilide
CID 66737
Trimethylphenylammonium hydroxide
CID 15913
N-Ethyl-N-phenylacetamide
CID 10727
N-Methylacetanilide
CID 11364
Carbanilic acid, N-ethyl-, ethyl ester
CID 13901
Carbamic chloride, N-methyl-N-phenyl-
CID 77969
Formamide, N-ethyl-N-phenyl-
CID 79585

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-phenylformamide?
The IUPAC name of N-formyl-N-phenylformamide (CID 11137329) is N-formyl-N-phenylformamide.
What is the SMILES notation for N-formyl-N-phenylformamide?
The canonical SMILES for N-formyl-N-phenylformamide is O=CN(C=O)c1ccccc1.
What is the InChIKey of N-formyl-N-phenylformamide?
The InChIKey is BQLGYWVIAOPDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of N-formyl-N-phenylformamide?
N-formyl-N-phenylformamide has a molecular weight of 149.15 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-phenylformamide is sourced from PubChem (CID 11137329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).