5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide

C19H19ClFN3O3 — CID 95143326

IUPAC5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C19H19ClFN3O3/c1-10-8-13(21)4-7-17(10)24-18(26)11(2)22-19(27)15-9-14(23-12(3)25)5-6-16(15)20/h4-9,11H,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t11-/m1/s1
InChIKeyCGESVRGVNXSIOM-LLVKDONJSA-N
MW391.83 g/mol
LogP3.50
Rot. Bonds5

About 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide

5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 95143326) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
PubChem CID95143326
Molecular FormulaC19H19ClFN3O3
Molecular Weight391.83 g/mol
Exact Mass391.11
IUPAC Name5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C19H19ClFN3O3/c1-10-8-13(21)4-7-17(10)24-18(26)11(2)22-19(27)15-9-14(23-12(3)25)5-6-16(15)20/h4-9,11H,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t11-/m1/s1
InChIKeyCGESVRGVNXSIOM-LLVKDONJSA-N
XLogP3.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-2-chloro-N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 50980049
N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 51605145
N-[1-(5-acetamido-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55916331
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
2-[(5-acetamido-2-fluorobenzoyl)amino]propanoic acid
CID 119348788
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide (CID 95143326) is 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide is CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)C(=O)Nc2ccc(F)cc2C)c1.
What is the InChIKey of 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is CGESVRGVNXSIOM-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c1-10-8-13(21)4-7-17(10)24-18(26)11(2)22-19(27)15-9-14(23-12(3)25)5-6-16(15)20/h4-9,11H,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t11-/m1/s1.
What are the key properties of 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 391.83 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 95143326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).