4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide

C19H22ClNO3 — CID 2187837

IUPAC4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-4-5-10-24-17-9-7-14(11-18(17)23-3)19(22)21-15-8-6-13(2)16(20)12-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyKDYMJZOQGNBKPL-UHFFFAOYSA-N
MW347.84 g/mol
LogP5.09
Rot. Bonds7

About 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide

4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide (PubChem CID 2187837) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
PubChem CID2187837
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-4-5-10-24-17-9-7-14(11-18(17)23-3)19(22)21-15-8-6-13(2)16(20)12-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyKDYMJZOQGNBKPL-UHFFFAOYSA-N
XLogP5.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.84
LogP ≤ 55.09
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

N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043760
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
4-butoxy-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide
CID 2292033
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide (CID 2187837) is 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC.
What is the InChIKey of 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide?
The InChIKey is KDYMJZOQGNBKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-5-10-24-17-9-7-14(11-18(17)23-3)19(22)21-15-8-6-13(2)16(20)12-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide?
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide has a molecular weight of 347.84 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 2187837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).