3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide

C16H17FN2O2 — CID 82153732

IUPAC3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
SMILESNC(=O)CCc1ccc(OCc2cccc(F)c2)c(N)c1
InChIInChI=1S/C16H17FN2O2/c17-13-3-1-2-12(8-13)10-21-15-6-4-11(9-14(15)18)5-7-16(19)20/h1-4,6,8-9H,5,7,10,18H2,(H2,19,20)
InChIKeyPVRWJDUWOZXMIH-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.40
Rot. Bonds6

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

3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide (PubChem CID 82153732) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
PubChem CID82153732
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
SMILESNC(=O)CCc1ccc(OCc2cccc(F)c2)c(N)c1
InChIInChI=1S/C16H17FN2O2/c17-13-3-1-2-12(8-13)10-21-15-6-4-11(9-14(15)18)5-7-16(19)20/h1-4,6,8-9H,5,7,10,18H2,(H2,19,20)
InChIKeyPVRWJDUWOZXMIH-UHFFFAOYSA-N
XLogP2.40
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
CID 91686226
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
CID 66591267
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The IUPAC name of 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide (CID 82153732) is 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide.
What is the SMILES notation for 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The canonical SMILES for 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide is NC(=O)CCc1ccc(OCc2cccc(F)c2)c(N)c1.
What is the InChIKey of 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
The InChIKey is PVRWJDUWOZXMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-3-1-2-12(8-13)10-21-15-6-4-11(9-14(15)18)5-7-16(19)20/h1-4,6,8-9H,5,7,10,18H2,(H2,19,20).
What are the key properties of 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide?
3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide has a molecular weight of 288.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-[(3-fluorophenyl)methoxy]phenyl]propanamide is sourced from PubChem (CID 82153732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).