3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide

C14H20ClNO3 — CID 26253252

IUPAC3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
SMILESCOc1cc(C(=O)NCCC(C)C)cc(Cl)c1OC
InChIInChI=1S/C14H20ClNO3/c1-9(2)5-6-16-14(17)10-7-11(15)13(19-4)12(8-10)18-3/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyOERJKVLXGORDRH-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.13
Rot. Bonds6

About 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide

3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide (PubChem CID 26253252) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
PubChem CID26253252
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
SMILESCOc1cc(C(=O)NCCC(C)C)cc(Cl)c1OC
InChIInChI=1S/C14H20ClNO3/c1-9(2)5-6-16-14(17)10-7-11(15)13(19-4)12(8-10)18-3/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyOERJKVLXGORDRH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513424
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699665
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 18268789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide (CID 26253252) is 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide is COc1cc(C(=O)NCCC(C)C)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide?
The InChIKey is OERJKVLXGORDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(2)5-6-16-14(17)10-7-11(15)13(19-4)12(8-10)18-3/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide?
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide has a molecular weight of 285.77 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 26253252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).