2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide

C11H14ClFN2O2 — CID 55081012

IUPAC2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O2/c1-17-5-4-9(14)11(16)15-10-3-2-7(13)6-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16)
InChIKeyPGLXOBYRRQJNQO-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide

2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide (PubChem CID 55081012) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
PubChem CID55081012
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O2/c1-17-5-4-9(14)11(16)15-10-3-2-7(13)6-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16)
InChIKeyPGLXOBYRRQJNQO-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
CID 83079089
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
CID 29080421
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892216
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904689
2-amino-N-(2,6-dichlorophenyl)-4-methoxybutanamide
CID 65467824
2-amino-N-(2-chloro-4-nitrophenyl)-5-methoxypentanamide
CID 81083150
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
4-[(2-amino-3-methoxypropanoyl)amino]-3-chlorobenzoic acid
CID 81089429

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide (CID 55081012) is 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide?
The InChIKey is PGLXOBYRRQJNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-17-5-4-9(14)11(16)15-10-3-2-7(13)6-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide?
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide has a molecular weight of 260.70 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide is sourced from PubChem (CID 55081012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).