N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide

C24H19ClN2O3 — CID 143706351

IUPACN-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide
SMILESN#Cc1ccc(NC(=O)C(O)(C=Cc2ccccc2CO)c2ccccc2)cc1Cl
InChIInChI=1S/C24H19ClN2O3/c25-22-14-21(11-10-18(22)15-26)27-23(29)24(30,20-8-2-1-3-9-20)13-12-17-6-4-5-7-19(17)16-28/h1-14,28,30H,16H2,(H,27,29)
InChIKeyCNRLSZPQEMUTGT-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.24
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide

N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide (PubChem CID 143706351) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide
PubChem CID143706351
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide
SMILESN#Cc1ccc(NC(=O)C(O)(C=Cc2ccccc2CO)c2ccccc2)cc1Cl
InChIInChI=1S/C24H19ClN2O3/c25-22-14-21(11-10-18(22)15-26)27-23(29)24(30,20-8-2-1-3-9-20)13-12-17-6-4-5-7-19(17)16-28/h1-14,28,30H,16H2,(H,27,29)
InChIKeyCNRLSZPQEMUTGT-UHFFFAOYSA-N
XLogP4.24
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
CID 71027238
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-ynamide
CID 25094855
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
N-(3-chloro-4-cyanophenyl)-3-(4-fluoroanilino)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 139430925
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534784
2-chloro-4-[(2-methyl-2-phenylpropyl)amino]benzonitrile
CID 63540083
4-[(3-chloro-4-cyanophenyl)carbamoylamino]-4-oxobutanoic acid
CID 43348173
3-tert-butylsulfonyl-N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]propanamide
CID 71660208
N-(3-chloro-4-cyanophenyl)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfonyl]-2-hydroxypropanamide
CID 56646100

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide (CID 143706351) is N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide is N#Cc1ccc(NC(=O)C(O)(C=Cc2ccccc2CO)c2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide?
The InChIKey is CNRLSZPQEMUTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c25-22-14-21(11-10-18(22)15-26)27-23(29)24(30,20-8-2-1-3-9-20)13-12-17-6-4-5-7-19(17)16-28/h1-14,28,30H,16H2,(H,27,29).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide?
N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide has a molecular weight of 418.88 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-[2-(hydroxymethyl)phenyl]-2-phenylbut-3-enamide is sourced from PubChem (CID 143706351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).