N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide

C22H17ClN2O3 — CID 71027238

IUPACN-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(C(O)(C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-28-19-11-8-17(9-12-19)22(27,16-5-3-2-4-6-16)21(26)25-18-10-7-15(14-24)20(23)13-18/h2-13,27H,1H3,(H,25,26)
InChIKeyBSFBGQGWFRUWKZ-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.09
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide

N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide (PubChem CID 71027238) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
PubChem CID71027238
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(C(O)(C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-28-19-11-8-17(9-12-19)22(27,16-5-3-2-4-6-16)21(26)25-18-10-7-15(14-24)20(23)13-18/h2-13,27H,1H3,(H,25,26)
InChIKeyBSFBGQGWFRUWKZ-UHFFFAOYSA-N
XLogP4.09
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4879754
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-ynamide
CID 25094855
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
N-(3-chloro-4-cyanophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652495
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
3-tert-butylsulfonyl-N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 71660208
N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969258
N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide
CID 60587877
2-[(3-chloro-4-cyanophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61266932
N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide
CID 143706351

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide (CID 71027238) is N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide is COc1ccc(C(O)(C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)cc1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide?
The InChIKey is BSFBGQGWFRUWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-28-19-11-8-17(9-12-19)22(27,16-5-3-2-4-6-16)21(26)25-18-10-7-15(14-24)20(23)13-18/h2-13,27H,1H3,(H,25,26).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide?
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide has a molecular weight of 392.84 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 71027238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).