2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide

C14H17Cl2NO3 — CID 114951274

IUPAC2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-17(9-14(19)4-6-20-7-5-14)13(18)11-3-2-10(15)8-12(11)16/h2-3,8,19H,4-7,9H2,1H3
InChIKeyRQSXJVZITJCAGM-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.61
Rot. Bonds3

About 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide

2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide (PubChem CID 114951274) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
PubChem CID114951274
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-17(9-14(19)4-6-20-7-5-14)13(18)11-3-2-10(15)8-12(11)16/h2-3,8,19H,4-7,9H2,1H3
InChIKeyRQSXJVZITJCAGM-UHFFFAOYSA-N
XLogP2.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114948839
5-bromo-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949575
1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950486
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 110875712
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethylbenzamide
CID 114949584
3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105336754
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide (CID 114951274) is 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide is CN(CC1(O)CCOCC1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide?
The InChIKey is RQSXJVZITJCAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-17(9-14(19)4-6-20-7-5-14)13(18)11-3-2-10(15)8-12(11)16/h2-3,8,19H,4-7,9H2,1H3.
What are the key properties of 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide?
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide has a molecular weight of 318.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 114951274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).