5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide

C14H20ClNO4 — CID 122243925

IUPAC5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide
SMILESCOCC(C)(CNC(=O)c1cc(Cl)ccc1OC)OC
InChIInChI=1S/C14H20ClNO4/c1-14(20-4,9-18-2)8-16-13(17)11-7-10(15)5-6-12(11)19-3/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyNGRHZARCTGYXTA-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.13
Rot. Bonds7

About 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide

5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide (PubChem CID 122243925) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide
PubChem CID122243925
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide
SMILESCOCC(C)(CNC(=O)c1cc(Cl)ccc1OC)OC
InChIInChI=1S/C14H20ClNO4/c1-14(20-4,9-18-2)8-16-13(17)11-7-10(15)5-6-12(11)19-3/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyNGRHZARCTGYXTA-UHFFFAOYSA-N
XLogP2.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625413
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide (CID 122243925) is 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide is COCC(C)(CNC(=O)c1cc(Cl)ccc1OC)OC.
What is the InChIKey of 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide?
The InChIKey is NGRHZARCTGYXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-14(20-4,9-18-2)8-16-13(17)11-7-10(15)5-6-12(11)19-3/h5-7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide?
5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide has a molecular weight of 301.77 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide is sourced from PubChem (CID 122243925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).