N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C18H19ClN4O2 — CID 46796952

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C18H19ClN4O2/c19-14-4-5-16(23-10-20-9-21-23)15(8-14)22-18(25)13-6-11-2-1-3-12(7-13)17(11)24/h4-5,8-13H,1-3,6-7H2,(H,22,25)
InChIKeyNMQGKVIYILNVRF-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.25
Rot. Bonds3

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 46796952) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID46796952
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C18H19ClN4O2/c19-14-4-5-16(23-10-20-9-21-23)15(8-14)22-18(25)13-6-11-2-1-3-12(7-13)17(11)24/h4-5,8-13H,1-3,6-7H2,(H,22,25)
InChIKeyNMQGKVIYILNVRF-UHFFFAOYSA-N
XLogP3.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]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

(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide
CID 81119792
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 18090216
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 34066852
cis-(1S,3R)-3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391756
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583209
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
(3S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40986719
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125160828
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43001142
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696341
(3S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26526374

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 46796952) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CC2CCCC(C1)C2=O.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is NMQGKVIYILNVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-14-4-5-16(23-10-20-9-21-23)15(8-14)22-18(25)13-6-11-2-1-3-12(7-13)17(11)24/h4-5,8-13H,1-3,6-7H2,(H,22,25).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 46796952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).