N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide

C18H18ClFN2O3S — CID 35823056

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide
SMILESC=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H18ClFN2O3S/c1-3-8-26(24,25)14-6-4-12(2)17(10-14)21-11-18(23)22-13-5-7-16(20)15(19)9-13/h3-7,9-10,21H,1,8,11H2,2H3,(H,22,23)
InChIKeyGERANZXIJWJMEW-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.80
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide (PubChem CID 35823056) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide
PubChem CID35823056
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide
SMILESC=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H18ClFN2O3S/c1-3-8-26(24,25)14-6-4-12(2)17(10-14)21-11-18(23)22-13-5-7-16(20)15(19)9-13/h3-7,9-10,21H,1,8,11H2,2H3,(H,22,23)
InChIKeyGERANZXIJWJMEW-UHFFFAOYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703647
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845
N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100613
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
N-(3-chloro-4-fluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 3393731
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide (CID 35823056) is N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide is C=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide?
The InChIKey is GERANZXIJWJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c1-3-8-26(24,25)14-6-4-12(2)17(10-14)21-11-18(23)22-13-5-7-16(20)15(19)9-13/h3-7,9-10,21H,1,8,11H2,2H3,(H,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide has a molecular weight of 396.87 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide is sourced from PubChem (CID 35823056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).