N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

C16H23ClN2O2 — CID 106612283

IUPACN-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-2-3-9-19(11-13-5-4-8-18-13)16(21)12-6-7-15(20)14(17)10-12/h6-7,10,13,18,20H,2-5,8-9,11H2,1H3
InChIKeyCURBXEDFZROFMY-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.04
Rot. Bonds6

About N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612283) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612283
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H23ClN2O2/c1-2-3-9-19(11-13-5-4-8-18-13)16(21)12-6-7-15(20)14(17)10-12/h6-7,10,13,18,20H,2-5,8-9,11H2,1H3
InChIKeyCURBXEDFZROFMY-UHFFFAOYSA-N
XLogP3.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611749
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
N-butyl-2-hydroxy-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 106611964
N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106612141
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612283) is N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is CURBXEDFZROFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-3-9-19(11-13-5-4-8-18-13)16(21)12-6-7-15(20)14(17)10-12/h6-7,10,13,18,20H,2-5,8-9,11H2,1H3.
What are the key properties of N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 310.82 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).