2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide

C11H12Cl2N2O2 — CID 114189535

IUPAC2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CNC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-7-1-2-8(9(13)3-7)10(16)15-6-11(17)4-14-5-11/h1-3,14,17H,4-6H2,(H,15,16)
InChIKeyOACYXTNUKCEPNY-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.06
Rot. Bonds3

About 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide

2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide (PubChem CID 114189535) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
PubChem CID114189535
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CNC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-7-1-2-8(9(13)3-7)10(16)15-6-11(17)4-14-5-11/h1-3,14,17H,4-6H2,(H,15,16)
InChIKeyOACYXTNUKCEPNY-UHFFFAOYSA-N
XLogP1.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea
CID 114189607
3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide
CID 114189517
2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693780
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
CID 143467111
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 154901624
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide (CID 114189535) is 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide is O=C(NCC1(O)CNC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide?
The InChIKey is OACYXTNUKCEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-7-1-2-8(9(13)3-7)10(16)15-6-11(17)4-14-5-11/h1-3,14,17H,4-6H2,(H,15,16).
What are the key properties of 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide?
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide has a molecular weight of 275.13 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide is sourced from PubChem (CID 114189535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).