4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide

C22H18ClFN2O3 — CID 1191658

IUPAC4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18ClFN2O3/c1-14-19(23)3-2-4-20(14)26-21(27)13-29-18-11-5-15(6-12-18)22(28)25-17-9-7-16(24)8-10-17/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyOKPFOPUSTRCVNO-UHFFFAOYSA-N
MW412.85 g/mol
LogP5.06
Rot. Bonds6

About 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide

4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide (PubChem CID 1191658) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
PubChem CID1191658
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC Name4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18ClFN2O3/c1-14-19(23)3-2-4-20(14)26-21(27)13-29-18-11-5-15(6-12-18)22(28)25-17-9-7-16(24)8-10-17/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyOKPFOPUSTRCVNO-UHFFFAOYSA-N
XLogP5.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.85
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870223
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870238
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 135572064
N-(3-chloro-2-methylphenyl)-4-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 1194234
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899034
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158805
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide (CID 1191658) is 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide is Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide?
The InChIKey is OKPFOPUSTRCVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c1-14-19(23)3-2-4-20(14)26-21(27)13-29-18-11-5-15(6-12-18)22(28)25-17-9-7-16(24)8-10-17/h2-12H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide?
4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide has a molecular weight of 412.85 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 1191658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).