2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide

C19H21FN2O3 — CID 122569346

IUPAC2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
SMILESCC(C)OCCNC(=O)c1cccc(-c2ccc(F)c(C(N)=O)c2)c1
InChIInChI=1S/C19H21FN2O3/c1-12(2)25-9-8-22-19(24)15-5-3-4-13(10-15)14-6-7-17(20)16(11-14)18(21)23/h3-7,10-12H,8-9H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyMPWJKVDXSJPGJG-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.75
Rot. Bonds7

About 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide

2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide (PubChem CID 122569346) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
PubChem CID122569346
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
SMILESCC(C)OCCNC(=O)c1cccc(-c2ccc(F)c(C(N)=O)c2)c1
InChIInChI=1S/C19H21FN2O3/c1-12(2)25-9-8-22-19(24)15-5-3-4-13(10-15)14-6-7-17(20)16(11-14)18(21)23/h3-7,10-12H,8-9H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyMPWJKVDXSJPGJG-UHFFFAOYSA-N
XLogP2.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118787053
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 104578530
4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118785542
2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide
CID 126447046
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide
CID 171675779
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694
4,5-difluoro-2-(2-propan-2-yloxyethylcarbamoyl)benzoic acid
CID 104759074
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide (CID 122569346) is 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide is CC(C)OCCNC(=O)c1cccc(-c2ccc(F)c(C(N)=O)c2)c1.
What is the InChIKey of 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide?
The InChIKey is MPWJKVDXSJPGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12(2)25-9-8-22-19(24)15-5-3-4-13(10-15)14-6-7-17(20)16(11-14)18(21)23/h3-7,10-12H,8-9H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide?
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 122569346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).