2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide

C18H18ClFN2O2 — CID 113171858

IUPAC2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClFN2O2/c1-12-3-6-15(19)9-17(12)22(13(2)23)11-18(24)21-10-14-4-7-16(20)8-5-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyXGEYPADBHDGYFX-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.46
Rot. Bonds5

About 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide

2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 113171858) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID113171858
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClFN2O2/c1-12-3-6-15(19)9-17(12)22(13(2)23)11-18(24)21-10-14-4-7-16(20)8-5-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyXGEYPADBHDGYFX-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171880
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 113171858) is 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cc(Cl)ccc1C.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is XGEYPADBHDGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-3-6-15(19)9-17(12)22(13(2)23)11-18(24)21-10-14-4-7-16(20)8-5-14/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 348.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113171858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).