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

C18H21FN2O2 — CID 120560905

IUPAC4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O2/c1-13(20)8-9-18(22)21-16-6-3-7-17(11-16)23-12-14-4-2-5-15(19)10-14/h2-7,10-11,13H,8-9,12,20H2,1H3,(H,21,22)
InChIKeyROTPCSDOPVRUJH-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.47
Rot. Bonds7

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

4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide (PubChem CID 120560905) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
PubChem CID120560905
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O2/c1-13(20)8-9-18(22)21-16-6-3-7-17(11-16)23-12-14-4-2-5-15(19)10-14/h2-7,10-11,13H,8-9,12,20H2,1H3,(H,21,22)
InChIKeyROTPCSDOPVRUJH-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473952
4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
CID 120561225
2-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylpentanamide;hydrochloride
CID 119739977
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]butanamide
CID 52702153
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide
CID 52702165
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258
4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453032

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide?
The IUPAC name of 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide (CID 120560905) is 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide is CC(N)CCC(=O)Nc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide?
The InChIKey is ROTPCSDOPVRUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(20)8-9-18(22)21-16-6-3-7-17(11-16)23-12-14-4-2-5-15(19)10-14/h2-7,10-11,13H,8-9,12,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide?
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide has a molecular weight of 316.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide is sourced from PubChem (CID 120560905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).