2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide

C20H24ClN3O2 — CID 46887562

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide
SMILESCc1cnc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)cn1
InChIInChI=1S/C20H24ClN3O2/c1-14-11-23-18(12-22-14)15-6-7-17(21)16(10-15)19(25)24-13-20(26)8-4-2-3-5-9-20/h6-7,10-12,26H,2-5,8-9,13H2,1H3,(H,24,25)
InChIKeyZULJZBWKPRSCTD-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.92
Rot. Bonds4

About 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide (PubChem CID 46887562) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide
PubChem CID46887562
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide
SMILESCc1cnc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)cn1
InChIInChI=1S/C20H24ClN3O2/c1-14-11-23-18(12-22-14)15-6-7-17(21)16(10-15)19(25)24-13-20(26)8-4-2-3-5-9-20/h6-7,10-12,26H,2-5,8-9,13H2,1H3,(H,24,25)
InChIKeyZULJZBWKPRSCTD-UHFFFAOYSA-N
XLogP3.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 58818168
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]benzamide
CID 69059309
5-[1-(3-amino-2-hydroxypropyl)-5-methylpyrazol-3-yl]-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide;hydrochloride
CID 69053496
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]benzamide
CID 18438675
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide (CID 46887562) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide is Cc1cnc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)cn1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide?
The InChIKey is ZULJZBWKPRSCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-11-23-18(12-22-14)15-6-7-17(21)16(10-15)19(25)24-13-20(26)8-4-2-3-5-9-20/h6-7,10-12,26H,2-5,8-9,13H2,1H3,(H,24,25).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide is sourced from PubChem (CID 46887562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).