3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride

C12H18Cl2N2O2 — CID 119719418

IUPAC3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC(O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-8(14)5-12(17)15-7-11(16)9-3-2-4-10(13)6-9;/h2-4,6,8,11,16H,5,7,14H2,1H3,(H,15,17);1H
InChIKeyMGMPYOOKQLGEJV-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.65
Rot. Bonds5

About 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride

3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride (PubChem CID 119719418) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
PubChem CID119719418
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC(O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-8(14)5-12(17)15-7-11(16)9-3-2-4-10(13)6-9;/h2-4,6,8,11,16H,5,7,14H2,1H3,(H,15,17);1H
InChIKeyMGMPYOOKQLGEJV-UHFFFAOYSA-N
XLogP1.65
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
CID 119719419
2-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119287112
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
CID 119673570
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
CID 111750581
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 42959835

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride (CID 119719418) is 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride is CC(N)CC(=O)NCC(O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride?
The InChIKey is MGMPYOOKQLGEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-8(14)5-12(17)15-7-11(16)9-3-2-4-10(13)6-9;/h2-4,6,8,11,16H,5,7,14H2,1H3,(H,15,17);1H.
What are the key properties of 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride?
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride is sourced from PubChem (CID 119719418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).