2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide

C19H23FN2O3 — CID 19388171

IUPAC2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide
SMILESNC(=O)C(CO)NCc1ccc(OCCCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O3/c20-16-5-1-3-14(11-16)4-2-10-25-17-8-6-15(7-9-17)12-22-18(13-23)19(21)24/h1,3,5-9,11,18,22-23H,2,4,10,12-13H2,(H2,21,24)
InChIKeyOXBGQEXGIBSNMU-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.77
Rot. Bonds10

About 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide

2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide (PubChem CID 19388171) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide
PubChem CID19388171
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide
SMILESNC(=O)C(CO)NCc1ccc(OCCCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FN2O3/c20-16-5-1-3-14(11-16)4-2-10-25-17-8-6-15(7-9-17)12-22-18(13-23)19(21)24/h1,3,5-9,11,18,22-23H,2,4,10,12-13H2,(H2,21,24)
InChIKeyOXBGQEXGIBSNMU-UHFFFAOYSA-N
XLogP1.77
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide
CID 141192165
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
CID 58276440
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-(furan-2-yl)acetamide
CID 46223823
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide
CID 10450512
3-hydroxy-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 74070896
(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
CID 121266382
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
(2S)-1-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propan-1-ol
CID 155791401
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol
CID 174367428

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide?
The IUPAC name of 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide (CID 19388171) is 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide.
What is the SMILES notation for 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide?
The canonical SMILES for 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide is NC(=O)C(CO)NCc1ccc(OCCCc2cccc(F)c2)cc1.
What is the InChIKey of 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide?
The InChIKey is OXBGQEXGIBSNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-16-5-1-3-14(11-16)4-2-10-25-17-8-6-15(7-9-17)12-22-18(13-23)19(21)24/h1,3,5-9,11,18,22-23H,2,4,10,12-13H2,(H2,21,24).
What are the key properties of 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide?
2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide has a molecular weight of 346.40 g/mol, XLogP of 1.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide is sourced from PubChem (CID 19388171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).