4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide

C11H15FN2O3 — CID 171899204

IUPAC4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide
SMILESNCc1ccc(C(O)C(O)CC(N)=O)cc1F
InChIInChI=1S/C11H15FN2O3/c12-8-3-6(1-2-7(8)5-13)11(17)9(15)4-10(14)16/h1-3,9,11,15,17H,4-5,13H2,(H2,14,16)
InChIKeyFMCRHLAEDPOXLR-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.45
Rot. Bonds5

About 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide

4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide (PubChem CID 171899204) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide
PubChem CID171899204
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide
SMILESNCc1ccc(C(O)C(O)CC(N)=O)cc1F
InChIInChI=1S/C11H15FN2O3/c12-8-3-6(1-2-7(8)5-13)11(17)9(15)4-10(14)16/h1-3,9,11,15,17H,4-5,13H2,(H2,14,16)
InChIKeyFMCRHLAEDPOXLR-UHFFFAOYSA-N
XLogP-0.45
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
2-[4-(1,2-dihydroxy-4-sulfanylbutyl)-2-fluorophenyl]acetic acid
CID 171874634
3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
CID 171899918
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171899827
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
CID 66516658
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
2-[3-(4-amino-1,2-dihydroxy-4-oxobutyl)phenyl]acetic acid
CID 171899481

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide?
The IUPAC name of 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide (CID 171899204) is 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide?
The canonical SMILES for 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide is NCc1ccc(C(O)C(O)CC(N)=O)cc1F.
What is the InChIKey of 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide?
The InChIKey is FMCRHLAEDPOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c12-8-3-6(1-2-7(8)5-13)11(17)9(15)4-10(14)16/h1-3,9,11,15,17H,4-5,13H2,(H2,14,16).
What are the key properties of 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide?
4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide has a molecular weight of 242.25 g/mol, XLogP of -0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).