2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide

C19H24ClN3O2 — CID 18438679

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)n1
InChIInChI=1S/C19H24ClN3O2/c1-23-11-8-17(22-23)14-6-7-16(20)15(12-14)18(24)21-13-19(25)9-4-2-3-5-10-19/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,21,24)
InChIKeyYDEJGKAAZCMVHH-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.56
Rot. Bonds4

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

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide (PubChem CID 18438679) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide
PubChem CID18438679
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)n1
InChIInChI=1S/C19H24ClN3O2/c1-23-11-8-17(22-23)14-6-7-16(20)15(12-14)18(24)21-13-19(25)9-4-2-3-5-10-19/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,21,24)
InChIKeyYDEJGKAAZCMVHH-UHFFFAOYSA-N
XLogP3.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide (CID 18438679) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)n1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is YDEJGKAAZCMVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-23-11-8-17(22-23)14-6-7-16(20)15(12-14)18(24)21-13-19(25)9-4-2-3-5-10-19/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,21,24).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 361.87 g/mol, XLogP of 3.56, 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-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 18438679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).