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

C15H21ClN2O3 — CID 106611749

IUPAC3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOCCN(CC1CCCN1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-21-8-7-18(10-12-3-2-6-17-12)15(20)11-4-5-14(19)13(16)9-11/h4-5,9,12,17,19H,2-3,6-8,10H2,1H3
InChIKeyZZYNHOICJPVSBW-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.89
Rot. Bonds6

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

3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106611749) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106611749
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOCCN(CC1CCCN1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-21-8-7-18(10-12-3-2-6-17-12)15(20)11-4-5-14(19)13(16)9-11/h4-5,9,12,17,19H,2-3,6-8,10H2,1H3
InChIKeyZZYNHOICJPVSBW-UHFFFAOYSA-N
XLogP1.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
2-chloro-5-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611521
4-chloro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611503
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611571
2,6-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611526
3-chloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106611605
N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106611455
4-fluoro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107016129
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539853

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106611749) is 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide is COCCN(CC1CCCN1)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is ZZYNHOICJPVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-21-8-7-18(10-12-3-2-6-17-12)15(20)11-4-5-14(19)13(16)9-11/h4-5,9,12,17,19H,2-3,6-8,10H2,1H3.
What are the key properties of 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 312.80 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106611749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).