N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide

C17H19FN2O — CID 43460200

IUPACN-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cccc(N)c1)C(=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-12(2)20(11-13-5-3-8-16(19)9-13)17(21)14-6-4-7-15(18)10-14/h3-10,12H,11,19H2,1-2H3
InChIKeyIIPRYQOLNZIWLE-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.46
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide

N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide (PubChem CID 43460200) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
PubChem CID43460200
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cccc(N)c1)C(=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-12(2)20(11-13-5-3-8-16(19)9-13)17(21)14-6-4-7-15(18)10-14/h3-10,12H,11,19H2,1-2H3
InChIKeyIIPRYQOLNZIWLE-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
CID 43460181
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104669124
N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 43460190
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759842
[3-[[[(2S)-butan-2-yl]-(3-fluorobenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 7249945
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 80661580
N-[(3-aminophenyl)methyl]-2,5-dibromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959331
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide (CID 43460200) is N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide is CC(C)N(Cc1cccc(N)c1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide?
The InChIKey is IIPRYQOLNZIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(2)20(11-13-5-3-8-16(19)9-13)17(21)14-6-4-7-15(18)10-14/h3-10,12H,11,19H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide?
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 43460200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).