2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide

C19H22FN3O2 — CID 31773500

IUPAC2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(=O)Nc1cc(NCC(=O)N(c2ccccc2)C(C)C)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-13(2)23(16-7-5-4-6-8-16)19(25)12-21-15-9-10-17(20)18(11-15)22-14(3)24/h4-11,13,21H,12H2,1-3H3,(H,22,24)
InChIKeyZHYYTQGTOCCKRZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.64
Rot. Bonds6

About 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide

2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 31773500) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide
PubChem CID31773500
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(=O)Nc1cc(NCC(=O)N(c2ccccc2)C(C)C)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-13(2)23(16-7-5-4-6-8-16)19(25)12-21-15-9-10-17(20)18(11-15)22-14(3)24/h4-11,13,21H,12H2,1-3H3,(H,22,24)
InChIKeyZHYYTQGTOCCKRZ-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 2408074
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894113
N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
CID 51946412
2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 51932530
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371
2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 31773469
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 104777465

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide (CID 31773500) is 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide is CC(=O)Nc1cc(NCC(=O)N(c2ccccc2)C(C)C)ccc1F.
What is the InChIKey of 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is ZHYYTQGTOCCKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(2)23(16-7-5-4-6-8-16)19(25)12-21-15-9-10-17(20)18(11-15)22-14(3)24/h4-11,13,21H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide?
2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 343.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-fluoroanilino)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 31773500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).