2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide

C18H20ClN3O — CID 11899499

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C18H20ClN3O/c19-15-10-20-22(11-15)17-5-3-16(4-6-17)21-18(23)9-14-8-12-1-2-13(14)7-12/h3-6,10-14H,1-2,7-9H2,(H,21,23)/t12-,13+,14-/m0/s1
InChIKeyFVBBLHQSYGQVBA-MJBXVCDLSA-N
MW329.83 g/mol
LogP4.29
Rot. Bonds4

About 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide (PubChem CID 11899499) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide
PubChem CID11899499
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C18H20ClN3O/c19-15-10-20-22(11-15)17-5-3-16(4-6-17)21-18(23)9-14-8-12-1-2-13(14)7-12/h3-6,10-14H,1-2,7-9H2,(H,21,23)/t12-,13+,14-/m0/s1
InChIKeyFVBBLHQSYGQVBA-MJBXVCDLSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide with MolForge

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397715
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 136683512
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 7358190
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 47067439
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 98588277
methyl 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoate
CID 43404005
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 23307154
methyl 2-[4-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]phenyl]acetate
CID 98750990

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide (CID 11899499) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide is O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(-n2cc(Cl)cn2)cc1.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide?
The InChIKey is FVBBLHQSYGQVBA-MJBXVCDLSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-15-10-20-22(11-15)17-5-3-16(4-6-17)21-18(23)9-14-8-12-1-2-13(14)7-12/h3-6,10-14H,1-2,7-9H2,(H,21,23)/t12-,13+,14-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide has a molecular weight of 329.83 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 11899499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).