4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide

C20H24ClNO3 — CID 18288959

IUPAC4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C20H24ClNO3/c1-5-6-10-25-19-16(21)11-15(12-17(19)24-4)20(23)22-18-13(2)8-7-9-14(18)3/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,23)
InChIKeyNEIOCKXTWVVNOH-UHFFFAOYSA-N
MW361.87 g/mol
LogP5.40
Rot. Bonds7

About 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide

4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide (PubChem CID 18288959) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
PubChem CID18288959
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1OC
InChIInChI=1S/C20H24ClNO3/c1-5-6-10-25-19-16(21)11-15(12-17(19)24-4)20(23)22-18-13(2)8-7-9-14(18)3/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,23)
InChIKeyNEIOCKXTWVVNOH-UHFFFAOYSA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 8853707
3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide
CID 86797117
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
CID 18266478
4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031623

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide?
The IUPAC name of 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide (CID 18288959) is 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide.
What is the SMILES notation for 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide?
The canonical SMILES for 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide is CCCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1OC.
What is the InChIKey of 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide?
The InChIKey is NEIOCKXTWVVNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-5-6-10-25-19-16(21)11-15(12-17(19)24-4)20(23)22-18-13(2)8-7-9-14(18)3/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,23).
What are the key properties of 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide?
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide has a molecular weight of 361.87 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide is sourced from PubChem (CID 18288959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).