N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide

C19H17Cl2F3N2O4S — CID 76839251

IUPACN-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide
SMILESCCC(=NOCc1ccc(Cl)cc1)c1cc(Cl)ccc1N(C(C)=O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H17Cl2F3N2O4S/c1-3-17(25-30-11-13-4-6-14(20)7-5-13)16-10-15(21)8-9-18(16)26(12(2)27)31(28,29)19(22,23)24/h4-10H,3,11H2,1-2H3
InChIKeyBSURAQPFMVTLAP-UHFFFAOYSA-N
MW497.32 g/mol
LogP5.53
Rot. Bonds7

About N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide

N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 76839251) has the molecular formula C19H17Cl2F3N2O4S and a molecular weight of 497.32 g/mol. Its IUPAC name is N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide
PubChem CID76839251
Molecular FormulaC19H17Cl2F3N2O4S
Molecular Weight497.32 g/mol
Exact Mass496.02
IUPAC NameN-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide
SMILESCCC(=NOCc1ccc(Cl)cc1)c1cc(Cl)ccc1N(C(C)=O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H17Cl2F3N2O4S/c1-3-17(25-30-11-13-4-6-14(20)7-5-13)16-10-15(21)8-9-18(16)26(12(2)27)31(28,29)19(22,23)24/h4-10H,3,11H2,1-2H3
InChIKeyBSURAQPFMVTLAP-UHFFFAOYSA-N
XLogP5.53
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.32
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide (CID 76839251) is N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide is CCC(=NOCc1ccc(Cl)cc1)c1cc(Cl)ccc1N(C(C)=O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is BSURAQPFMVTLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O4S/c1-3-17(25-30-11-13-4-6-14(20)7-5-13)16-10-15(21)8-9-18(16)26(12(2)27)31(28,29)19(22,23)24/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide?
N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 497.32 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[N-[(4-chlorophenyl)methoxy]-C-ethylcarbonimidoyl]phenyl]-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 76839251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).