N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide

C17H19FN2O — CID 114827852

IUPACN-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)Cc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(11-14-5-3-4-6-17(14)18)19-15-7-9-16(10-8-15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyLAVADQQACSKCJU-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.83
Rot. Bonds5

About N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide

N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide (PubChem CID 114827852) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide
PubChem CID114827852
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)Cc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(11-14-5-3-4-6-17(14)18)19-15-7-9-16(10-8-15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21)
InChIKeyLAVADQQACSKCJU-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
CID 114828418
4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828280
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830485
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
4-acetyl-2-[1-(2-fluorophenyl)propan-2-ylamino]benzonitrile
CID 133456691
3-[[4-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoyl]amino]propanoic acid
CID 119223044
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide (CID 114827852) is N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(C)Cc2ccccc2F)cc1.
What is the InChIKey of N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide?
The InChIKey is LAVADQQACSKCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(11-14-5-3-4-6-17(14)18)19-15-7-9-16(10-8-15)20-13(2)21/h3-10,12,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide?
N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide has a molecular weight of 286.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide is sourced from PubChem (CID 114827852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).