N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide

C14H20ClNO3 — CID 113273131

IUPACN-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
SMILESCCC(C)(CCl)NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H20ClNO3/c1-5-14(2,9-15)16-13(17)10-7-6-8-11(18-3)12(10)19-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyJORJODALWNLLRO-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.84
Rot. Bonds6

About N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide

N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide (PubChem CID 113273131) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
PubChem CID113273131
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
SMILESCCC(C)(CCl)NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H20ClNO3/c1-5-14(2,9-15)16-13(17)10-7-6-8-11(18-3)12(10)19-4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyJORJODALWNLLRO-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 64550717
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 61120213
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254550
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254551
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 114303689
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide (CID 113273131) is N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide is CCC(C)(CCl)NC(=O)c1cccc(OC)c1OC.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide?
The InChIKey is JORJODALWNLLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-5-14(2,9-15)16-13(17)10-7-6-8-11(18-3)12(10)19-4/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide?
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 113273131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).