N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide

C20H24N2O — CID 98785559

IUPACN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
SMILESC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H24N2O/c1-14(19-12-15-7-8-16(19)11-15)21-20(23)17-5-4-6-18(13-17)22-9-2-3-10-22/h2-6,9-10,13-16,19H,7-8,11-12H2,1H3,(H,21,23)/t14-,15+,16+,19+/m1/s1
InChIKeyUGLVUBDQRNMGLP-DRMAHVMPSA-N
MW308.43 g/mol
LogP4.03
Rot. Bonds4

About N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide (PubChem CID 98785559) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
PubChem CID98785559
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
SMILESC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H24N2O/c1-14(19-12-15-7-8-16(19)11-15)21-20(23)17-5-4-6-18(13-17)22-9-2-3-10-22/h2-6,9-10,13-16,19H,7-8,11-12H2,1H3,(H,21,23)/t14-,15+,16+,19+/m1/s1
InChIKeyUGLVUBDQRNMGLP-DRMAHVMPSA-N
XLogP4.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide 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-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 18271808
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylsulfinylmethyl)benzamide
CID 46559723
3-(azepan-1-ylsulfonyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 43009008
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-phenacylsulfanylbenzamide
CID 84557000
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 98785453
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 124720169
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 84578331
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 166368495
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 99848693

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide (CID 98785559) is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide is C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is UGLVUBDQRNMGLP-DRMAHVMPSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(19-12-15-7-8-16(19)11-15)21-20(23)17-5-4-6-18(13-17)22-9-2-3-10-22/h2-6,9-10,13-16,19H,7-8,11-12H2,1H3,(H,21,23)/t14-,15+,16+,19+/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide?
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 308.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 98785559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).