5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

C15H21ClN2O2 — CID 47308839

IUPAC5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(Cl)ccc1O)CN1CCCC1
InChIInChI=1S/C15H21ClN2O2/c1-11(10-18-6-2-3-7-18)9-17-15(20)13-8-12(16)4-5-14(13)19/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyQDRRIFIXMYYCGR-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.51
Rot. Bonds5

About 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 47308839) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID47308839
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(Cl)ccc1O)CN1CCCC1
InChIInChI=1S/C15H21ClN2O2/c1-11(10-18-6-2-3-7-18)9-17-15(20)13-8-12(16)4-5-14(13)19/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyQDRRIFIXMYYCGR-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
CID 106686782
4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61051288
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
5-chloro-N-(2-cyclopropylpropyl)-2-hydroxybenzamide
CID 115591206
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
2-hydrazinyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62990650

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (CID 47308839) is 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is CC(CNC(=O)c1cc(Cl)ccc1O)CN1CCCC1.
What is the InChIKey of 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is QDRRIFIXMYYCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(10-18-6-2-3-7-18)9-17-15(20)13-8-12(16)4-5-14(13)19/h4-5,8,11,19H,2-3,6-7,9-10H2,1H3,(H,17,20).
What are the key properties of 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 47308839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).