2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide

C22H21FN2O — CID 59531640

IUPAC2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide
SMILESCC(C)c1ccc(Nc2ccccc2C(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C22H21FN2O/c1-15(2)18-13-12-17(14-20(18)23)24-21-11-7-6-10-19(21)22(26)25-16-8-4-3-5-9-16/h3-15,24H,1-2H3,(H,25,26)
InChIKeyXEDCMYRKUKOWBA-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.95
Rot. Bonds5

About 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide

2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide (PubChem CID 59531640) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide.

Molecular Properties

Compound Name2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide
PubChem CID59531640
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide
SMILESCC(C)c1ccc(Nc2ccccc2C(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C22H21FN2O/c1-15(2)18-13-12-17(14-20(18)23)24-21-11-7-6-10-19(21)22(26)25-16-8-4-3-5-9-16/h3-15,24H,1-2H3,(H,25,26)
InChIKeyXEDCMYRKUKOWBA-UHFFFAOYSA-N
XLogP5.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
CID 63107936
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
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N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide?
The IUPAC name of 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide (CID 59531640) is 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide.
What is the SMILES notation for 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide?
The canonical SMILES for 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide is CC(C)c1ccc(Nc2ccccc2C(=O)Nc2ccccc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide?
The InChIKey is XEDCMYRKUKOWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-15(2)18-13-12-17(14-20(18)23)24-21-11-7-6-10-19(21)22(26)25-16-8-4-3-5-9-16/h3-15,24H,1-2H3,(H,25,26).
What are the key properties of 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide?
2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-propan-2-ylanilino)-N-phenylbenzamide is sourced from PubChem (CID 59531640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).