4-butoxy-N-(2,4,5-trichlorophenyl)benzamide

C17H16Cl3NO2 — CID 4936163

IUPAC4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3NO2/c1-2-3-8-23-12-6-4-11(5-7-12)17(22)21-16-10-14(19)13(18)9-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,22)
InChIKeyJNPSJSKCQQZSRL-UHFFFAOYSA-N
MW372.68 g/mol
LogP6.08
Rot. Bonds6

About 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide

4-butoxy-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 4936163) has the molecular formula C17H16Cl3NO2 and a molecular weight of 372.68 g/mol. Its IUPAC name is 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID4936163
Molecular FormulaC17H16Cl3NO2
Molecular Weight372.68 g/mol
Exact Mass371.02
IUPAC Name4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3NO2/c1-2-3-8-23-12-6-4-11(5-7-12)17(22)21-16-10-14(19)13(18)9-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,22)
InChIKeyJNPSJSKCQQZSRL-UHFFFAOYSA-N
XLogP6.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
CID 55799104
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
3-bromo-4-hexoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4959487
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
ethyl 3-chloro-4-[(4-propoxybenzoyl)amino]benzoate
CID 92680844
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-4-butoxybenzamide
CID 4233678
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
3-bromo-4-propoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 17342734
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide (CID 4936163) is 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide is CCCCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is JNPSJSKCQQZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO2/c1-2-3-8-23-12-6-4-11(5-7-12)17(22)21-16-10-14(19)13(18)9-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,22).
What are the key properties of 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide?
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 372.68 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 4936163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).