4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide

C19H20ClFN2O3 — CID 7973711

IUPAC4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClFN2O3/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)22-12-18(24)23-14-6-9-17(21)16(20)11-14/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyOWIVVPCYCDGGED-UHFFFAOYSA-N
MW378.83 g/mol
LogP4.03
Rot. Bonds8

About 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide

4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide (PubChem CID 7973711) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
PubChem CID7973711
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Name4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClFN2O3/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)22-12-18(24)23-14-6-9-17(21)16(20)11-14/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyOWIVVPCYCDGGED-UHFFFAOYSA-N
XLogP4.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 54.03
H-Bond Donors ≤ 52
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-fluorophenyl)-4-heptoxybenzamide
CID 4950672
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822297
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110305572
N-(3-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822742
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide (CID 7973711) is 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is OWIVVPCYCDGGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)22-12-18(24)23-14-6-9-17(21)16(20)11-14/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide?
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide has a molecular weight of 378.83 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 7973711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).