2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide

C18H22FN3O2 — CID 141192167

IUPAC2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(CO)NCc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C18H22FN3O2/c1-20-18(24)17(12-23)22-10-13-6-8-15(9-7-13)21-11-14-4-2-3-5-16(14)19/h2-9,17,21-23H,10-12H2,1H3,(H,20,24)
InChIKeyWGBJKILAAZCRBL-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.63
Rot. Bonds8

About 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide

2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide (PubChem CID 141192167) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
PubChem CID141192167
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(CO)NCc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C18H22FN3O2/c1-20-18(24)17(12-23)22-10-13-6-8-15(9-7-13)21-11-14-4-2-3-5-16(14)19/h2-9,17,21-23H,10-12H2,1H3,(H,20,24)
InChIKeyWGBJKILAAZCRBL-UHFFFAOYSA-N
XLogP1.63
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide
CID 54327325
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
2-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982178
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494
1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052737
2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43231833

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide (CID 141192167) is 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide is CNC(=O)C(CO)NCc1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide?
The InChIKey is WGBJKILAAZCRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-20-18(24)17(12-23)22-10-13-6-8-15(9-7-13)21-11-14-4-2-3-5-16(14)19/h2-9,17,21-23H,10-12H2,1H3,(H,20,24).
What are the key properties of 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide?
2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide has a molecular weight of 331.39 g/mol, XLogP of 1.63, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 141192167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).