2-amino-4-(3-chlorophenoxy)butanamide

C10H13ClN2O2 — CID 174561608

IUPAC2-amino-4-(3-chlorophenoxy)butanamide
SMILESNC(=O)C(N)CCOc1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c11-7-2-1-3-8(6-7)15-5-4-9(12)10(13)14/h1-3,6,9H,4-5,12H2,(H2,13,14)
InChIKeyRHGUKALKRXRQMI-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.92
Rot. Bonds5

About 2-amino-4-(3-chlorophenoxy)butanamide

2-amino-4-(3-chlorophenoxy)butanamide (PubChem CID 174561608) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenoxy)butanamide.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenoxy)butanamide
PubChem CID174561608
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-amino-4-(3-chlorophenoxy)butanamide
SMILESNC(=O)C(N)CCOc1cccc(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c11-7-2-1-3-8(6-7)15-5-4-9(12)10(13)14/h1-3,6,9H,4-5,12H2,(H2,13,14)
InChIKeyRHGUKALKRXRQMI-UHFFFAOYSA-N
XLogP0.92
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenoxy)propanamide
CID 23512799
(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide
CID 94192884
1-amino-5-(3-chlorophenoxy)pentan-3-ol
CID 112508122
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
CID 119735014
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
CID 131885829
CID 131885829
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane
CID 143267856
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenoxy)butanamide?
The IUPAC name of 2-amino-4-(3-chlorophenoxy)butanamide (CID 174561608) is 2-amino-4-(3-chlorophenoxy)butanamide.
What is the SMILES notation for 2-amino-4-(3-chlorophenoxy)butanamide?
The canonical SMILES for 2-amino-4-(3-chlorophenoxy)butanamide is NC(=O)C(N)CCOc1cccc(Cl)c1.
What is the InChIKey of 2-amino-4-(3-chlorophenoxy)butanamide?
The InChIKey is RHGUKALKRXRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-7-2-1-3-8(6-7)15-5-4-9(12)10(13)14/h1-3,6,9H,4-5,12H2,(H2,13,14).
What are the key properties of 2-amino-4-(3-chlorophenoxy)butanamide?
2-amino-4-(3-chlorophenoxy)butanamide has a molecular weight of 228.68 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenoxy)butanamide is sourced from PubChem (CID 174561608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).