N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide

C18H18ClFN2O2 — CID 113059811

IUPACN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClFN2O2/c1-12-6-7-15(19)11-17(12)22(13(2)23)9-8-21-18(24)14-4-3-5-16(20)10-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyRHXLYCJLQLFIDA-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide (PubChem CID 113059811) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
PubChem CID113059811
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClFN2O2/c1-12-6-7-15(19)11-17(12)22(13(2)23)9-8-21-18(24)14-4-3-5-16(20)10-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
InChIKeyRHXLYCJLQLFIDA-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide (CID 113059811) is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)c1cc(Cl)ccc1C.
What is the InChIKey of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide?
The InChIKey is RHXLYCJLQLFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-6-7-15(19)11-17(12)22(13(2)23)9-8-21-18(24)14-4-3-5-16(20)10-14/h3-7,10-11H,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide?
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide has a molecular weight of 348.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113059811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).