4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide

C19H21Cl2NO3 — CID 7900588

IUPAC4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C19H21Cl2NO3/c1-3-5-10-25-18-16(21)11-13(12-17(18)24-4-2)19(23)22-15-8-6-14(20)7-9-15/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyVQHCEZGEMFMNAK-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.82
Rot. Bonds8

About 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide

4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide (PubChem CID 7900588) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
PubChem CID7900588
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C19H21Cl2NO3/c1-3-5-10-25-18-16(21)11-13(12-17(18)24-4-2)19(23)22-15-8-6-14(20)7-9-15/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyVQHCEZGEMFMNAK-UHFFFAOYSA-N
XLogP5.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.82
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

3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
3-chloro-N-(5-chloro-2-pyridinyl)-5-ethoxy-4-propoxybenzamide
CID 34135714
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide?
The IUPAC name of 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide (CID 7900588) is 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide.
What is the SMILES notation for 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide?
The canonical SMILES for 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide?
The InChIKey is VQHCEZGEMFMNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-3-5-10-25-18-16(21)11-13(12-17(18)24-4-2)19(23)22-15-8-6-14(20)7-9-15/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,23).
What are the key properties of 4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide?
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide has a molecular weight of 382.29 g/mol, XLogP of 5.82, 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-N-(4-chlorophenyl)-5-ethoxybenzamide is sourced from PubChem (CID 7900588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).