N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide

C18H18ClFN2O4S — CID 161201377

IUPACN-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCC2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C18H18ClFN2O4S/c19-15-7-14(4-5-16(15)20)22-18(24)11-2-1-3-13(6-11)21-8-12-9-27(25,26)10-17(12)23/h1-7,12,17,21,23H,8-10H2,(H,22,24)
InChIKeyUVAFHTZGNHGLDC-UHFFFAOYSA-N
MW412.87 g/mol
LogP2.55
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide

N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide (PubChem CID 161201377) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide
PubChem CID161201377
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCC2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C18H18ClFN2O4S/c19-15-7-14(4-5-16(15)20)22-18(24)11-2-1-3-13(6-11)21-8-12-9-27(25,26)10-17(12)23/h1-7,12,17,21,23H,8-10H2,(H,22,24)
InChIKeyUVAFHTZGNHGLDC-UHFFFAOYSA-N
XLogP2.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39354742
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166630
N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide
CID 158715416
N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
CID 141364165
N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 26166587
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide
CID 147840696

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide (CID 161201377) is N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCC2CS(=O)(=O)CC2O)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide?
The InChIKey is UVAFHTZGNHGLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c19-15-7-14(4-5-16(15)20)22-18(24)11-2-1-3-13(6-11)21-8-12-9-27(25,26)10-17(12)23/h1-7,12,17,21,23H,8-10H2,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide?
N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide has a molecular weight of 412.87 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide is sourced from PubChem (CID 161201377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).