N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide

C11H14FNO — CID 89085633

IUPACN-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESO=C(NCC1CC1)C1C=CC=CC1F
InChIInChI=1S/C11H14FNO/c12-10-4-2-1-3-9(10)11(14)13-7-8-5-6-8/h1-4,8-10H,5-7H2,(H,13,14)
InChIKeyYPFUKJREKCCCQN-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.59
Rot. Bonds3

About N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide

N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 89085633) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID89085633
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
SMILESO=C(NCC1CC1)C1C=CC=CC1F
InChIInChI=1S/C11H14FNO/c12-10-4-2-1-3-9(10)11(14)13-7-8-5-6-8/h1-4,8-10H,5-7H2,(H,13,14)
InChIKeyYPFUKJREKCCCQN-UHFFFAOYSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide (CID 89085633) is N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide is O=C(NCC1CC1)C1C=CC=CC1F.
What is the InChIKey of N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YPFUKJREKCCCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-4-2-1-3-9(10)11(14)13-7-8-5-6-8/h1-4,8-10H,5-7H2,(H,13,14).
What are the key properties of N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide?
N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 195.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 89085633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).