2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide

C17H15Cl2F3N2O3 — CID 67083606

IUPAC2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1ccc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)cc1)NCCO
InChIInChI=1S/C17H15Cl2F3N2O3/c18-13-8-12(27-17(20,21)22)9-14(19)16(13)24-11-3-1-10(2-4-11)7-15(26)23-5-6-25/h1-4,8-9,24-25H,5-7H2,(H,23,26)
InChIKeyOGCMQEYJLBFBKZ-UHFFFAOYSA-N
MW423.22 g/mol
LogP4.29
Rot. Bonds7

About 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide

2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 67083606) has the molecular formula C17H15Cl2F3N2O3 and a molecular weight of 423.22 g/mol. Its IUPAC name is 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide
PubChem CID67083606
Molecular FormulaC17H15Cl2F3N2O3
Molecular Weight423.22 g/mol
Exact Mass422.04
IUPAC Name2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1ccc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)cc1)NCCO
InChIInChI=1S/C17H15Cl2F3N2O3/c18-13-8-12(27-17(20,21)22)9-14(19)16(13)24-11-3-1-10(2-4-11)7-15(26)23-5-6-25/h1-4,8-9,24-25H,5-7H2,(H,23,26)
InChIKeyOGCMQEYJLBFBKZ-UHFFFAOYSA-N
XLogP4.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.22
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
N-(2-hydroxyethyl)-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42633119
2-(5-chloro-2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 82475017
2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide
CID 54262088
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide (CID 67083606) is 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide is O=C(Cc1ccc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)cc1)NCCO.
What is the InChIKey of 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is OGCMQEYJLBFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O3/c18-13-8-12(27-17(20,21)22)9-14(19)16(13)24-11-3-1-10(2-4-11)7-15(26)23-5-6-25/h1-4,8-9,24-25H,5-7H2,(H,23,26).
What are the key properties of 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide?
2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 423.22 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-dichloro-4-(trifluoromethoxy)anilino]phenyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 67083606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).