2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

C23H22ClFN2O2 — CID 3999969

IUPAC2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1
InChIInChI=1S/C23H22ClFN2O2/c1-2-16-3-8-19(9-4-16)26-14-17-5-12-22(21(24)13-17)29-15-23(28)27-20-10-6-18(25)7-11-20/h3-13,26H,2,14-15H2,1H3,(H,27,28)
InChIKeyOHMQAMSYOSGLGU-UHFFFAOYSA-N
MW412.89 g/mol
LogP5.67
Rot. Bonds8

About 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 3999969) has the molecular formula C23H22ClFN2O2 and a molecular weight of 412.89 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID3999969
Molecular FormulaC23H22ClFN2O2
Molecular Weight412.89 g/mol
Exact Mass412.14
IUPAC Name2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1
InChIInChI=1S/C23H22ClFN2O2/c1-2-16-3-8-19(9-4-16)26-14-17-5-12-22(21(24)13-17)29-15-23(28)27-20-10-6-18(25)7-11-20/h3-13,26H,2,14-15H2,1H3,(H,27,28)
InChIKeyOHMQAMSYOSGLGU-UHFFFAOYSA-N
XLogP5.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.89
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-[(4-ethoxyanilino)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 5022437
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
N'-[(Z)-[3-chloro-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266403
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
2-[2-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-N-(4-ethylphenyl)acetamide
CID 126267193
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3575641
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3418656

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 3999969) is 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1.
What is the InChIKey of 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is OHMQAMSYOSGLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O2/c1-2-16-3-8-19(9-4-16)26-14-17-5-12-22(21(24)13-17)29-15-23(28)27-20-10-6-18(25)7-11-20/h3-13,26H,2,14-15H2,1H3,(H,27,28).
What are the key properties of 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 412.89 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3999969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).