(1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C20H26N2O2 — CID 98845094

IUPAC(1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H26N2O2/c1-13-5-4-6-16(20(24)22-9-2-3-10-22)18(13)21-19(23)17-12-14-7-8-15(17)11-14/h4-6,14-15,17H,2-3,7-12H2,1H3,(H,21,23)/t14-,15-,17-/m0/s1
InChIKeyPYCBIRSUZFGBKU-ZOBUZTSGSA-N
MW326.44 g/mol
LogP3.61
Rot. Bonds3

About (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98845094) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98845094
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H26N2O2/c1-13-5-4-6-16(20(24)22-9-2-3-10-22)18(13)21-19(23)17-12-14-7-8-15(17)11-14/h4-6,14-15,17H,2-3,7-12H2,1H3,(H,21,23)/t14-,15-,17-/m0/s1
InChIKeyPYCBIRSUZFGBKU-ZOBUZTSGSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

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CID 3776698
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CID 10858497
N,N-diethyl-2-{[(2-methylphenyl)carbonyl]amino}benzamide
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2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 737731
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-2-nitrobenzamide
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1-isopropyl-N-{2-[(methylamino)carbonyl]phenyl}-5-oxo-3-pyrrolidinecarboxamide
CID 6459465
N-{2-[(ethylamino)carbonyl]phenyl}-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide
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1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (2-allylcarbamoyl-phenyl)-amide
CID 6493112
N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5192235
N-(2-acetylphenyl)-4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 56950157
N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 791687
N-[2-(1-pyrrolidinylcarbonyl)phenyl]propanamide
CID 899413

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 98845094) is (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PYCBIRSUZFGBKU-ZOBUZTSGSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-5-4-6-16(20(24)22-9-2-3-10-22)18(13)21-19(23)17-12-14-7-8-15(17)11-14/h4-6,14-15,17H,2-3,7-12H2,1H3,(H,21,23)/t14-,15-,17-/m0/s1.
What are the key properties of (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98845094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).