N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H17F2NO3 — CID 42941162

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC3C=CC2C3)cc1OC(F)F
InChIInChI=1S/C16H17F2NO3/c1-21-13-5-4-11(8-14(13)22-16(17)18)19-15(20)12-7-9-2-3-10(12)6-9/h2-5,8-10,12,16H,6-7H2,1H3,(H,19,20)
InChIKeyKDQCDJDEPPAXQQ-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.45
Rot. Bonds5

About N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 42941162) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID42941162
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC3C=CC2C3)cc1OC(F)F
InChIInChI=1S/C16H17F2NO3/c1-21-13-5-4-11(8-14(13)22-16(17)18)19-15(20)12-7-9-2-3-10(12)6-9/h2-5,8-10,12,16H,6-7H2,1H3,(H,19,20)
InChIKeyKDQCDJDEPPAXQQ-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide 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

cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635
cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46438663
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 18280720
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 42941162) is N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is COc1ccc(NC(=O)C2CC3C=CC2C3)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is KDQCDJDEPPAXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3/c1-21-13-5-4-11(8-14(13)22-16(17)18)19-15(20)12-7-9-2-3-10(12)6-9/h2-5,8-10,12,16H,6-7H2,1H3,(H,19,20).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 42941162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).