4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide

C18H21FN2O2 — CID 119283185

IUPAC4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O2/c19-16-4-1-3-15(11-16)13-23-17-8-6-14(7-9-17)12-21-18(22)5-2-10-20/h1,3-4,6-9,11H,2,5,10,12-13,20H2,(H,21,22)
InChIKeyJDSFUAHDJBARMJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.76
Rot. Bonds8

About 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide

4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide (PubChem CID 119283185) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
PubChem CID119283185
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O2/c19-16-4-1-3-15(11-16)13-23-17-8-6-14(7-9-17)12-21-18(22)5-2-10-20/h1,3-4,6-9,11H,2,5,10,12-13,20H2,(H,21,22)
InChIKeyJDSFUAHDJBARMJ-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180
5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
CID 139814633
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide;hydrochloride
CID 119712202
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide (CID 119283185) is 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide is NCCCC(=O)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide?
The InChIKey is JDSFUAHDJBARMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-16-4-1-3-15(11-16)13-23-17-8-6-14(7-9-17)12-21-18(22)5-2-10-20/h1,3-4,6-9,11H,2,5,10,12-13,20H2,(H,21,22).
What are the key properties of 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide?
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide has a molecular weight of 316.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide is sourced from PubChem (CID 119283185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).