N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide

C12H15Cl2NO4 — CID 46892802

IUPACN-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide
SMILESCCCCNC(=O)c1c(O)c(Cl)c(OC)c(Cl)c1O
InChIInChI=1S/C12H15Cl2NO4/c1-3-4-5-15-12(18)6-9(16)7(13)11(19-2)8(14)10(6)17/h16-17H,3-5H2,1-2H3,(H,15,18)
InChIKeyXEJQPZKFYUAXPA-UHFFFAOYSA-N
MW308.16 g/mol
LogP2.94
Rot. Bonds5

About N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide

N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide (PubChem CID 46892802) has the molecular formula C12H15Cl2NO4 and a molecular weight of 308.16 g/mol. Its IUPAC name is N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide
PubChem CID46892802
Molecular FormulaC12H15Cl2NO4
Molecular Weight308.16 g/mol
Exact Mass307.04
IUPAC NameN-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide
SMILESCCCCNC(=O)c1c(O)c(Cl)c(OC)c(Cl)c1O
InChIInChI=1S/C12H15Cl2NO4/c1-3-4-5-15-12(18)6-9(16)7(13)11(19-2)8(14)10(6)17/h16-17H,3-5H2,1-2H3,(H,15,18)
InChIKeyXEJQPZKFYUAXPA-UHFFFAOYSA-N
XLogP2.94
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)octan-1-one
CID 42600341
N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide
CID 122377688
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
N-butyl-3,5-diiodo-4-methoxybenzamide
CID 24834302
2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
CID 102168751
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539
4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
CID 67374963
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2,4,5-trifluoro-N-heptyl-3-methoxybenzamide
CID 91730409
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide
CID 19225565
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
CID 65373435

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide?
The IUPAC name of N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide (CID 46892802) is N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide.
What is the SMILES notation for N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide?
The canonical SMILES for N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide is CCCCNC(=O)c1c(O)c(Cl)c(OC)c(Cl)c1O.
What is the InChIKey of N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide?
The InChIKey is XEJQPZKFYUAXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4/c1-3-4-5-15-12(18)6-9(16)7(13)11(19-2)8(14)10(6)17/h16-17H,3-5H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide?
N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide has a molecular weight of 308.16 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide is sourced from PubChem (CID 46892802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).