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

C17H16ClFN2O3 — CID 9165970

IUPACN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O3/c1-2-24-15-6-4-3-5-12(15)17(23)20-10-16(22)21-11-7-8-14(19)13(18)9-11/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyOUOPDXRSGHUWQK-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.25
Rot. Bonds6

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

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 9165970) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
PubChem CID9165970
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O3/c1-2-24-15-6-4-3-5-12(15)17(23)20-10-16(22)21-11-7-8-14(19)13(18)9-11/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyOUOPDXRSGHUWQK-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959821
2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071303
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548139
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
CID 38613975
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4803693
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide
CID 2566216
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 31183094
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
CID 7930200

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide (CID 9165970) is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is OUOPDXRSGHUWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-2-24-15-6-4-3-5-12(15)17(23)20-10-16(22)21-11-7-8-14(19)13(18)9-11/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide?
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 350.78 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 9165970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).