N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

C20H22F2N2O2 — CID 25161335

IUPACN-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(c1ccccc1NC(=O)C12CC3CC(CC1C3)C2)N1CC(F)(F)C1
InChIInChI=1S/C20H22F2N2O2/c21-20(22)10-24(11-20)17(25)15-3-1-2-4-16(15)23-18(26)19-8-12-5-13(9-19)7-14(19)6-12/h1-4,12-14H,5-11H2,(H,23,26)
InChIKeyDYXMDKZCGBPNOS-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.54
Rot. Bonds3

About N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 25161335) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID25161335
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC NameN-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(c1ccccc1NC(=O)C12CC3CC(CC1C3)C2)N1CC(F)(F)C1
InChIInChI=1S/C20H22F2N2O2/c21-20(22)10-24(11-20)17(25)15-3-1-2-4-16(15)23-18(26)19-8-12-5-13(9-19)7-14(19)6-12/h1-4,12-14H,5-11H2,(H,23,26)
InChIKeyDYXMDKZCGBPNOS-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-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

N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427451
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 4919442
2-[2-[(1R,5R)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl]anilino]acetic acid
CID 98365268
N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
CID 108509141
N-(2-butan-2-ylphenyl)adamantane-1-carboxamide
CID 4795537
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
N-[2-(3-aminoazetidine-1-carbonyl)phenyl]acetamide
CID 121200746
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 30093775
N'-(2-chlorophenyl)adamantane-1-carbohydrazide
CID 24864649
4-cyclopropyl-2-[[(5R)-tricyclo[3.3.1.03,7]nonane-3-carbonyl]amino]thiophene-3-carboxylic acid
CID 68792292
N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 17233954

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 25161335) is N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is O=C(c1ccccc1NC(=O)C12CC3CC(CC1C3)C2)N1CC(F)(F)C1.
What is the InChIKey of N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is DYXMDKZCGBPNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-20(22)10-24(11-20)17(25)15-3-1-2-4-16(15)23-18(26)19-8-12-5-13(9-19)7-14(19)6-12/h1-4,12-14H,5-11H2,(H,23,26).
What are the key properties of N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoroazetidine-1-carbonyl)phenyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 25161335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).