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

C12H17ClN2O2 — CID 119719419

IUPAC3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
SMILESCC(N)CC(=O)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/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)
InChIKeyPDVNCCCNROHGGM-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.23
Rot. Bonds5

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

3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide (PubChem CID 119719419) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
PubChem CID119719419
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
SMILESCC(N)CC(=O)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/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)
InChIKeyPDVNCCCNROHGGM-UHFFFAOYSA-N
XLogP1.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119719418
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
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
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide (CID 119719419) is 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide is CC(N)CC(=O)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide?
The InChIKey is PDVNCCCNROHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/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).
What are the key properties of 3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide?
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide has a molecular weight of 256.73 g/mol, XLogP of 1.23, 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 is sourced from PubChem (CID 119719419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).