N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide

C19H17ClFNO3 — CID 86666777

IUPACN-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide
SMILESCC(=O)c1cc(Cl)c(C)c(N(C(C)=O)C(C)=O)c1-c1cccc(F)c1
InChIInChI=1S/C19H17ClFNO3/c1-10-17(20)9-16(11(2)23)18(14-6-5-7-15(21)8-14)19(10)22(12(3)24)13(4)25/h5-9H,1-4H3
InChIKeyRQKLQEPFCZEBKN-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.56
Rot. Bonds3

About N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide

N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide (PubChem CID 86666777) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide
PubChem CID86666777
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC NameN-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide
SMILESCC(=O)c1cc(Cl)c(C)c(N(C(C)=O)C(C)=O)c1-c1cccc(F)c1
InChIInChI=1S/C19H17ClFNO3/c1-10-17(20)9-16(11(2)23)18(14-6-5-7-15(21)8-14)19(10)22(12(3)24)13(4)25/h5-9H,1-4H3
InChIKeyRQKLQEPFCZEBKN-UHFFFAOYSA-N
XLogP4.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide?
The IUPAC name of N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide (CID 86666777) is N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide?
The canonical SMILES for N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide is CC(=O)c1cc(Cl)c(C)c(N(C(C)=O)C(C)=O)c1-c1cccc(F)c1.
What is the InChIKey of N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide?
The InChIKey is RQKLQEPFCZEBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c1-10-17(20)9-16(11(2)23)18(14-6-5-7-15(21)8-14)19(10)22(12(3)24)13(4)25/h5-9H,1-4H3.
What are the key properties of N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide?
N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide has a molecular weight of 361.80 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide is sourced from PubChem (CID 86666777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).