N-benzylformamide

C16H18N2O2 — CID 139060556

IUPACN-benzylformamide
SMILESO=CNCc1ccccc1.O=CNCc1ccccc1
InChIInChI=1S/2C8H9NO/c2*10-7-9-6-8-4-2-1-3-5-8/h2*1-5,7H,6H2,(H,9,10)
InChIKeyCPWCGMPABPTYOK-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.87
Rot. Bonds6

About N-benzylformamide

N-benzylformamide (PubChem CID 139060556) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-benzylformamide.

Molecular Properties

Compound NameN-benzylformamide
PubChem CID139060556
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-benzylformamide
SMILESO=CNCc1ccccc1.O=CNCc1ccccc1
InChIInChI=1S/2C8H9NO/c2*10-7-9-6-8-4-2-1-3-5-8/h2*1-5,7H,6H2,(H,9,10)
InChIKeyCPWCGMPABPTYOK-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2-diol;N-benzylformamide
CID 174601153
N-[(4-phenylphenyl)methyl]formamide
CID 54112237
N-[(benzylamino)methyl]formamide
CID 12511023
N-benzylformamide;quinoline
CID 174801934
N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
CID 53231447
N-[(Z)-1-(benzylamino)-3-oxoprop-1-en-2-yl]formamide
CID 134890742
methane;N-(2-phenylethyl)formamide
CID 143644399
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
2-(benzylamino)acetaldehyde
CID 2769654
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-(6-phenylhexyl)formamide
CID 25180077

Frequently Asked Questions

What is the IUPAC name of N-benzylformamide?
The IUPAC name of N-benzylformamide (CID 139060556) is N-benzylformamide.
What is the SMILES notation for N-benzylformamide?
The canonical SMILES for N-benzylformamide is O=CNCc1ccccc1.O=CNCc1ccccc1.
What is the InChIKey of N-benzylformamide?
The InChIKey is CPWCGMPABPTYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9NO/c2*10-7-9-6-8-4-2-1-3-5-8/h2*1-5,7H,6H2,(H,9,10).
What are the key properties of N-benzylformamide?
N-benzylformamide has a molecular weight of 270.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylformamide is sourced from PubChem (CID 139060556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).