N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide

C19H17ClFN3O — CID 167782704

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide
SMILESNCC(NC(=O)Cc1ccnc(Cl)c1F)c1ccc2ccccc2c1
InChIInChI=1S/C19H17ClFN3O/c20-19-18(21)15(7-8-23-19)10-17(25)24-16(11-22)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,16H,10-11,22H2,(H,24,25)
InChIKeyKQDAZDGXMHSYAY-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.39
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide

N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide (PubChem CID 167782704) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide
PubChem CID167782704
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide
SMILESNCC(NC(=O)Cc1ccnc(Cl)c1F)c1ccc2ccccc2c1
InChIInChI=1S/C19H17ClFN3O/c20-19-18(21)15(7-8-23-19)10-17(25)24-16(11-22)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,16H,10-11,22H2,(H,24,25)
InChIKeyKQDAZDGXMHSYAY-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 120567986
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
2-(2,5-difluorophenyl)-N-(2-hydroxy-1-naphthalen-2-ylethyl)acetamide
CID 23573503
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide
CID 120567799
N-(2-amino-1-naphthalen-2-ylethyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 120567731
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 120567798
N-(2-amino-1-phenylethyl)-2-(2-fluorophenyl)acetamide
CID 63754506
N-(2-amino-1-naphthalen-2-ylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120567791
N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120567542
N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 120567823

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide (CID 167782704) is N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide is NCC(NC(=O)Cc1ccnc(Cl)c1F)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide?
The InChIKey is KQDAZDGXMHSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-19-18(21)15(7-8-23-19)10-17(25)24-16(11-22)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,16H,10-11,22H2,(H,24,25).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide?
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide has a molecular weight of 357.82 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-chloro-3-fluoro-4-pyridinyl)acetamide is sourced from PubChem (CID 167782704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).