3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane

C19H25FN2O2 — CID 171537977

IUPAC3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane
SMILESCC.CC(C)(O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C17H19FN2O2.C2H6/c1-17(2,22)14-8-5-12(9-15(14)19)16(21)20-10-11-3-6-13(18)7-4-11;1-2/h3-9,22H,10,19H2,1-2H3,(H,20,21);1-2H3
InChIKeyCKCQLYRSGFHZGR-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.59
Rot. Bonds4

About 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane

3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane (PubChem CID 171537977) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane.

Molecular Properties

Compound Name3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane
PubChem CID171537977
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane
SMILESCC.CC(C)(O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C17H19FN2O2.C2H6/c1-17(2,22)14-8-5-12(9-15(14)19)16(21)20-10-11-3-6-13(18)7-4-11;1-2/h3-9,22H,10,19H2,1-2H3,(H,20,21);1-2H3
InChIKeyCKCQLYRSGFHZGR-UHFFFAOYSA-N
XLogP3.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
CID 171538005
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
CID 82069780
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
[2-amino-4-[(4-carboxyphenyl)methylcarbamoyl]phenyl]azanium
CID 143271263
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane?
The IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane (CID 171537977) is 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane.
What is the SMILES notation for 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane?
The canonical SMILES for 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane is CC.CC(C)(O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1N.
What is the InChIKey of 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane?
The InChIKey is CKCQLYRSGFHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2.C2H6/c1-17(2,22)14-8-5-12(9-15(14)19)16(21)20-10-11-3-6-13(18)7-4-11;1-2/h3-9,22H,10,19H2,1-2H3,(H,20,21);1-2H3.
What are the key properties of 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane?
3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane has a molecular weight of 332.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane is sourced from PubChem (CID 171537977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).