4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C15H21ClN2O2 — CID 106612493

IUPAC4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(CCO)CC2CCCN2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-9-12(4-5-14(11)16)15(20)18(7-8-19)10-13-3-2-6-17-13/h4-5,9,13,17,19H,2-3,6-8,10H2,1H3
InChIKeyGLUQTUWDWCDVQQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.83
Rot. Bonds5

About 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612493) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612493
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cc(C(=O)N(CCO)CC2CCCN2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-9-12(4-5-14(11)16)15(20)18(7-8-19)10-13-3-2-6-17-13/h4-5,9,13,17,19H,2-3,6-8,10H2,1H3
InChIKeyGLUQTUWDWCDVQQ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612857
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106613059
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611749
N-(2-hydroxyethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106613006
3,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611087
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612493) is 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1cc(C(=O)N(CCO)CC2CCCN2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is GLUQTUWDWCDVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-9-12(4-5-14(11)16)15(20)18(7-8-19)10-13-3-2-6-17-13/h4-5,9,13,17,19H,2-3,6-8,10H2,1H3.
What are the key properties of 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 296.80 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).