2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide

C16H17ClFN3O2 — CID 91763580

IUPAC2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(C(NC(=O)c2cc(F)ccc2Cl)C2CC(O)C2)cn1
InChIInChI=1S/C16H17ClFN3O2/c1-21-8-10(7-19-21)15(9-4-12(22)5-9)20-16(23)13-6-11(18)2-3-14(13)17/h2-3,6-9,12,15,22H,4-5H2,1H3,(H,20,23)
InChIKeyICDKIENBDMSXFC-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.45
Rot. Bonds4

About 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide

2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 91763580) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID91763580
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(C(NC(=O)c2cc(F)ccc2Cl)C2CC(O)C2)cn1
InChIInChI=1S/C16H17ClFN3O2/c1-21-8-10(7-19-21)15(9-4-12(22)5-9)20-16(23)13-6-11(18)2-3-14(13)17/h2-3,6-9,12,15,22H,4-5H2,1H3,(H,20,23)
InChIKeyICDKIENBDMSXFC-UHFFFAOYSA-N
XLogP2.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91781314
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 91771159
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 91770068
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide (CID 91763580) is 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(C(NC(=O)c2cc(F)ccc2Cl)C2CC(O)C2)cn1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is ICDKIENBDMSXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c1-21-8-10(7-19-21)15(9-4-12(22)5-9)20-16(23)13-6-11(18)2-3-14(13)17/h2-3,6-9,12,15,22H,4-5H2,1H3,(H,20,23).
What are the key properties of 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide?
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 337.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 91763580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).