2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide

C21H25ClN2O3 — CID 46887517

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(CO)cn2)ccc1Cl
InChIInChI=1S/C21H25ClN2O3/c22-18-7-6-16(19-8-5-15(13-25)12-23-19)11-17(18)20(26)24-14-21(27)9-3-1-2-4-10-21/h5-8,11-12,25,27H,1-4,9-10,13-14H2,(H,24,26)
InChIKeyQJHJISOWONYMPK-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.71
Rot. Bonds5

About 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 46887517) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID46887517
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(CO)cn2)ccc1Cl
InChIInChI=1S/C21H25ClN2O3/c22-18-7-6-16(19-8-5-15(13-25)12-23-19)11-17(18)20(26)24-14-21(27)9-3-1-2-4-10-21/h5-8,11-12,25,27H,1-4,9-10,13-14H2,(H,24,26)
InChIKeyQJHJISOWONYMPK-UHFFFAOYSA-N
XLogP3.71
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide (CID 46887517) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide is O=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(CO)cn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is QJHJISOWONYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-18-7-6-16(19-8-5-15(13-25)12-23-19)11-17(18)20(26)24-14-21(27)9-3-1-2-4-10-21/h5-8,11-12,25,27H,1-4,9-10,13-14H2,(H,24,26).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[5-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 388.90 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 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-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 46887517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).