4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide

C24H24ClNO3 — CID 7969022

IUPAC4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H24ClNO3/c1-3-4-14-29-23-21(25)15-19(16-22(23)28-2)24(27)26-20-12-10-18(11-13-20)17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,27)
InChIKeyKBTZWSMVUFOQOY-UHFFFAOYSA-N
MW409.91 g/mol
LogP6.45
Rot. Bonds8

About 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide

4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide (PubChem CID 7969022) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
PubChem CID7969022
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H24ClNO3/c1-3-4-14-29-23-21(25)15-19(16-22(23)28-2)24(27)26-20-12-10-18(11-13-20)17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,27)
InChIKeyKBTZWSMVUFOQOY-UHFFFAOYSA-N
XLogP6.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 56.45
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

4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
CID 18266478
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide (CID 7969022) is 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide?
The InChIKey is KBTZWSMVUFOQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-3-4-14-29-23-21(25)15-19(16-22(23)28-2)24(27)26-20-12-10-18(11-13-20)17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,27).
What are the key properties of 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide?
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide has a molecular weight of 409.91 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 7969022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).