2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide

C19H20ClFN2O4 — CID 110407843

IUPAC2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide
SMILESCOc1ccc(OC)c(CCNC(=O)CNC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C19H20ClFN2O4/c1-26-13-6-7-16(27-2)12(10-13)8-9-22-17(24)11-23-19(25)18-14(20)4-3-5-15(18)21/h3-7,10H,8-9,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCTSFKDXRKKMGCT-UHFFFAOYSA-N
MW394.83 g/mol
LogP2.59
Rot. Bonds8

About 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide

2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide (PubChem CID 110407843) has the molecular formula C19H20ClFN2O4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide
PubChem CID110407843
Molecular FormulaC19H20ClFN2O4
Molecular Weight394.83 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide
SMILESCOc1ccc(OC)c(CCNC(=O)CNC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C19H20ClFN2O4/c1-26-13-6-7-16(27-2)12(10-13)8-9-22-17(24)11-23-19(25)18-14(20)4-3-5-15(18)21/h3-7,10H,8-9,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCTSFKDXRKKMGCT-UHFFFAOYSA-N
XLogP2.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
2-chloro-6-fluoro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 112994867
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110407840
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide (CID 110407843) is 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide is COc1ccc(OC)c(CCNC(=O)CNC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide?
The InChIKey is CTSFKDXRKKMGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4/c1-26-13-6-7-16(27-2)12(10-13)8-9-22-17(24)11-23-19(25)18-14(20)4-3-5-15(18)21/h3-7,10H,8-9,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide?
2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide has a molecular weight of 394.83 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide is sourced from PubChem (CID 110407843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).