4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide

C20H23FN2O3 — CID 49340250

IUPAC4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)COc1cccc(F)c1
InChIInChI=1S/C20H23FN2O3/c1-13(2)11-22-20(25)15-7-8-18(14(3)9-15)23-19(24)12-26-17-6-4-5-16(21)10-17/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQZQBDYVUOHKFRS-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.54
Rot. Bonds7

About 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide

4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 49340250) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
PubChem CID49340250
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)COc1cccc(F)c1
InChIInChI=1S/C20H23FN2O3/c1-13(2)11-22-20(25)15-7-8-18(14(3)9-15)23-19(24)12-26-17-6-4-5-16(21)10-17/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQZQBDYVUOHKFRS-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 49340244
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
CID 7834460
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
2-[3-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 119224806
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146
3-[2-[4-[(3-fluorophenyl)methoxy]-2-methylanilino]-2-oxoethoxy]benzamide
CID 86886668
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2454873

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide (CID 49340250) is 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)COc1cccc(F)c1.
What is the InChIKey of 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is QZQBDYVUOHKFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-13(2)11-22-20(25)15-7-8-18(14(3)9-15)23-19(24)12-26-17-6-4-5-16(21)10-17/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide?
4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 358.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 49340250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).