N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide

C17H19ClN2O2 — CID 46735826

IUPACN-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C17H19ClN2O2/c1-3-15(22-16-7-5-4-6-11(16)2)17(21)20-12-8-9-13(18)14(19)10-12/h4-10,15H,3,19H2,1-2H3,(H,20,21)
InChIKeyGWNUADOEQYOIHZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.03
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide

N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 46735826) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
PubChem CID46735826
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C17H19ClN2O2/c1-3-15(22-16-7-5-4-6-11(16)2)17(21)20-12-8-9-13(18)14(19)10-12/h4-10,15H,3,19H2,1-2H3,(H,20,21)
InChIKeyGWNUADOEQYOIHZ-UHFFFAOYSA-N
XLogP4.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
CID 43886287
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877925
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2S)-N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
CID 92846699
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
ethyl 2-chloro-5-(2-naphthalen-1-yloxybutanoylamino)benzoate
CID 43910406

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide (CID 46735826) is N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is GWNUADOEQYOIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-15(22-16-7-5-4-6-11(16)2)17(21)20-12-8-9-13(18)14(19)10-12/h4-10,15H,3,19H2,1-2H3,(H,20,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide?
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 318.80 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 46735826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).