5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide

C14H18ClNO3 — CID 103842932

IUPAC5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H18ClNO3/c1-9-4-5-10(15)6-12(9)13(17)16-7-11-8-18-14(2,3)19-11/h4-6,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyLUOCEHWVERISLQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.53
Rot. Bonds3

About 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide

5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide (PubChem CID 103842932) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
PubChem CID103842932
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H18ClNO3/c1-9-4-5-10(15)6-12(9)13(17)16-7-11-8-18-14(2,3)19-11/h4-6,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyLUOCEHWVERISLQ-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide (CID 103842932) is 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide?
The InChIKey is LUOCEHWVERISLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9-4-5-10(15)6-12(9)13(17)16-7-11-8-18-14(2,3)19-11/h4-6,11H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide?
5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide has a molecular weight of 283.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 103842932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).