5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide

C10H10ClFN2O2 — CID 32559967

IUPAC5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFN2O2/c1-13-9(15)5-14-10(16)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyCBQRGIKGDFURFU-UHFFFAOYSA-N
MW244.65 g/mol
LogP0.95
Rot. Bonds3

About 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide

5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 32559967) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID32559967
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFN2O2/c1-13-9(15)5-14-10(16)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyCBQRGIKGDFURFU-UHFFFAOYSA-N
XLogP0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107022570
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 32559967) is 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is CBQRGIKGDFURFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c1-13-9(15)5-14-10(16)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide?
5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 244.65 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 32559967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).