N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide

C15H23FN2O3 — CID 106665084

IUPACN-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide
SMILESCOC(C)(C)CCOCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H23FN2O3/c1-15(2,20-3)7-9-21-8-6-14(19)18-13-10-11(17)4-5-12(13)16/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyFSBNBQNMBMWGPD-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.57
Rot. Bonds8

About N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide

N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide (PubChem CID 106665084) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide
PubChem CID106665084
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide
SMILESCOC(C)(C)CCOCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H23FN2O3/c1-15(2,20-3)7-9-21-8-6-14(19)18-13-10-11(17)4-5-12(13)16/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeyFSBNBQNMBMWGPD-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
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N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
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N-(5-amino-2-fluorophenyl)-4-tert-butylsulfinylbutanamide
CID 61304221
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66232216
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312
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CID 104560276

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide (CID 106665084) is N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide is COC(C)(C)CCOCCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide?
The InChIKey is FSBNBQNMBMWGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-15(2,20-3)7-9-21-8-6-14(19)18-13-10-11(17)4-5-12(13)16/h4-5,10H,6-9,17H2,1-3H3,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide?
N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide has a molecular weight of 298.36 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(3-methoxy-3-methylbutoxy)propanamide is sourced from PubChem (CID 106665084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).