2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide

C20H23ClFN3O — CID 71808409

IUPAC2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccc(F)cc1Cl
InChIInChI=1S/C20H23ClFN3O/c21-17-11-13(22)9-10-15(17)20(26)23-12-18-16-7-3-4-8-19(16)25(24-18)14-5-1-2-6-14/h9-11,14H,1-8,12H2,(H,23,26)
InChIKeyNYSVWVFXPCONQC-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.60
Rot. Bonds4

About 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide

2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide (PubChem CID 71808409) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide
PubChem CID71808409
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccc(F)cc1Cl
InChIInChI=1S/C20H23ClFN3O/c21-17-11-13(22)9-10-15(17)20(26)23-12-18-16-7-3-4-8-19(16)25(24-18)14-5-1-2-6-14/h9-11,14H,1-8,12H2,(H,23,26)
InChIKeyNYSVWVFXPCONQC-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 71808401
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]furan-2-carboxamide
CID 71808387
1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea
CID 71808441
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-phenylsulfanylpropanamide
CID 71808416
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 71808427
2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145874
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
CID 90490188
N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 86264435
2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 55806364
2-chloro-4-fluoro-N-[(4-oxo-3-prop-2-ynylphthalazin-1-yl)methyl]benzamide
CID 121048991
N-[[3-(bromomethyl)phenyl]methyl]-2-chloro-4-fluorobenzamide
CID 114312951
1-cyclopentyl-N-[(3,5-dichloro-4-pyridinyl)methyl]-3-ethylindazole-6-carboxamide
CID 140998605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide (CID 71808409) is 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide is O=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide?
The InChIKey is NYSVWVFXPCONQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c21-17-11-13(22)9-10-15(17)20(26)23-12-18-16-7-3-4-8-19(16)25(24-18)14-5-1-2-6-14/h9-11,14H,1-8,12H2,(H,23,26).
What are the key properties of 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide?
2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide has a molecular weight of 375.88 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 71808409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).