2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride

C13H20Cl2N2O — CID 119263480

IUPAC2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(2)12(15)13(17)16-8-7-10-3-5-11(14)6-4-10;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyYROQMIRLECYPGU-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride

2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride (PubChem CID 119263480) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
PubChem CID119263480
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-9(2)12(15)13(17)16-8-7-10-3-5-11(14)6-4-10;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyYROQMIRLECYPGU-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 79013339
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
4-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 61160853
(2S)-2-amino-N-[2-[4-[3-(4-chlorophenyl)propoxy]-3-methoxyphenyl]ethyl]-3-methylbutanamide
CID 54099212
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-methylbutanamide
CID 62538439

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride (CID 119263480) is 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride is CC(C)C(N)C(=O)NCCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride?
The InChIKey is YROQMIRLECYPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-9(2)12(15)13(17)16-8-7-10-3-5-11(14)6-4-10;/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride?
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119263480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).