4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride

C11H16Cl2N2O2 — CID 120586386

IUPAC4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1cccc(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O2.ClH/c1-16-10(7-13)6-11(15)14-9-4-2-3-8(12)5-9;/h2-5,10H,6-7,13H2,1H3,(H,14,15);1H
InChIKeyYWEGFZKSUXBCQM-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.06
Rot. Bonds5

About 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride

4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride (PubChem CID 120586386) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
PubChem CID120586386
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1cccc(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O2.ClH/c1-16-10(7-13)6-11(15)14-9-4-2-3-8(12)5-9;/h2-5,10H,6-7,13H2,1H3,(H,14,15);1H
InChIKeyYWEGFZKSUXBCQM-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
3-(aminomethyl)-N-(3-chlorophenyl)hexanamide
CID 112516422
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride (CID 120586386) is 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)Nc1cccc(Cl)c1.Cl.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride?
The InChIKey is YWEGFZKSUXBCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2.ClH/c1-16-10(7-13)6-11(15)14-9-4-2-3-8(12)5-9;/h2-5,10H,6-7,13H2,1H3,(H,14,15);1H.
What are the key properties of 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120586386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).