Formamide, N-ethyl-N-phenyl-

C9H11NO — CID 79585

IUPACN-ethyl-N-phenylformamide
SMILESCCN(C=O)C1=CC=CC=C1
InChIInChI=1S/C9H11NO/c1-2-10(8-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyGBDYFPAHVXJQEP-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.70
Rot. Bonds2

About Formamide, N-ethyl-N-phenyl-

Formamide, N-ethyl-N-phenyl- (PubChem CID 79585) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-ethyl-N-phenylformamide.

Molecular Properties

Compound NameFormamide, N-ethyl-N-phenyl-
PubChem CID79585
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-ethyl-N-phenylformamide
SMILESCCN(C=O)C1=CC=CC=C1
InChIInChI=1S/C9H11NO/c1-2-10(8-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyGBDYFPAHVXJQEP-UHFFFAOYSA-N
XLogP1.70
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity119

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
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 Formamide, N-ethyl-N-phenyl-?
The IUPAC name of Formamide, N-ethyl-N-phenyl- (CID 79585) is N-ethyl-N-phenylformamide.
What is the SMILES notation for Formamide, N-ethyl-N-phenyl-?
The canonical SMILES for Formamide, N-ethyl-N-phenyl- is CCN(C=O)C1=CC=CC=C1.
What is the InChIKey of Formamide, N-ethyl-N-phenyl-?
The InChIKey is GBDYFPAHVXJQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-10(8-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of Formamide, N-ethyl-N-phenyl-?
Formamide, N-ethyl-N-phenyl- has a molecular weight of 149.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Formamide, N-ethyl-N-phenyl- is sourced from PubChem (CID 79585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).