N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

C19H24N4O — CID 98695291

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccccc1Cn1cncn1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H24N4O/c1-13(18-9-14-6-7-15(18)8-14)22-19(24)17-5-3-2-4-16(17)10-23-12-20-11-21-23/h2-5,11-15,18H,6-10H2,1H3,(H,22,24)/t13-,14+,15+,18-/m1/s1
InChIKeyRQECQHDIZNYKAO-LDDOYCOJSA-N
MW324.43 g/mol
LogP2.88
Rot. Bonds5

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 98695291) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID98695291
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESC[C@@H](NC(=O)c1ccccc1Cn1cncn1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H24N4O/c1-13(18-9-14-6-7-15(18)8-14)22-19(24)17-5-3-2-4-16(17)10-23-12-20-11-21-23/h2-5,11-15,18H,6-10H2,1H3,(H,22,24)/t13-,14+,15+,18-/m1/s1
InChIKeyRQECQHDIZNYKAO-LDDOYCOJSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide 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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 98284311
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(1,2,4-triazol-1-yl)anilino]acetamide
CID 98871567
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 129376930
N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 120577532
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 98296051
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylindole-3-carboxamide
CID 46559714
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071610
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide
CID 98785968

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 98695291) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is C[C@@H](NC(=O)c1ccccc1Cn1cncn1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is RQECQHDIZNYKAO-LDDOYCOJSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(18-9-14-6-7-15(18)8-14)22-19(24)17-5-3-2-4-16(17)10-23-12-20-11-21-23/h2-5,11-15,18H,6-10H2,1H3,(H,22,24)/t13-,14+,15+,18-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 98695291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).