3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide

C14H15FN2O — CID 114266969

IUPAC3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCCCF
InChIInChI=1S/C14H15FN2O/c15-6-3-7-17-14(18)12-8-10-4-1-2-5-11(10)9-13(12)16/h1-2,4-5,8-9H,3,6-7,16H2,(H,17,18)
InChIKeyYVAALFQIVFMKBL-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.51
Rot. Bonds4

About 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide

3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide (PubChem CID 114266969) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
PubChem CID114266969
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCCCF
InChIInChI=1S/C14H15FN2O/c15-6-3-7-17-14(18)12-8-10-4-1-2-5-11(10)9-13(12)16/h1-2,4-5,8-9H,3,6-7,16H2,(H,17,18)
InChIKeyYVAALFQIVFMKBL-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
CID 55101985
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide (CID 114266969) is 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide is Nc1cc2ccccc2cc1C(=O)NCCCF.
What is the InChIKey of 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide?
The InChIKey is YVAALFQIVFMKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-6-3-7-17-14(18)12-8-10-4-1-2-5-11(10)9-13(12)16/h1-2,4-5,8-9H,3,6-7,16H2,(H,17,18).
What are the key properties of 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide?
3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide has a molecular weight of 246.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 114266969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).