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

C13H16ClNO3 — CID 103762524

IUPAC4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
SMILESCC1(C)OCC(CNC(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C13H16ClNO3/c1-13(2)17-8-11(18-13)7-15-12(16)9-3-5-10(14)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKeyPWEYAYQBVNVEBD-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.22
Rot. Bonds3

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

4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide (PubChem CID 103762524) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
PubChem CID103762524
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
SMILESCC1(C)OCC(CNC(=O)c2ccc(Cl)cc2)O1
InChIInChI=1S/C13H16ClNO3/c1-13(2)17-8-11(18-13)7-15-12(16)9-3-5-10(14)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKeyPWEYAYQBVNVEBD-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-iodobenzamide
CID 44756377
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103842932
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
3-bromo-5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103827212
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-3-carboxamide
CID 103800512
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103800446
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
CID 3669993
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-nitrobenzamide
CID 107389093
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 107389175
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide (CID 103762524) is 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide is CC1(C)OCC(CNC(=O)c2ccc(Cl)cc2)O1.
What is the InChIKey of 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide?
The InChIKey is PWEYAYQBVNVEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(2)17-8-11(18-13)7-15-12(16)9-3-5-10(14)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide?
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide is sourced from PubChem (CID 103762524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).