3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide

C10H13ClN2O2 — CID 66719941

IUPAC3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide
SMILESNC(=O)C(O)C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O2/c11-7-3-1-6(2-4-7)5-8(12)9(14)10(13)15/h1-4,8-9,14H,5,12H2,(H2,13,15)
InChIKeyTVNOOLAFGKBINB-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.06
Rot. Bonds4

About 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide

3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide (PubChem CID 66719941) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide
PubChem CID66719941
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide
SMILESNC(=O)C(O)C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O2/c11-7-3-1-6(2-4-7)5-8(12)9(14)10(13)15/h1-4,8-9,14H,5,12H2,(H2,13,15)
InChIKeyTVNOOLAFGKBINB-UHFFFAOYSA-N
XLogP0.06
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
CID 153385822
4-(4-chlorophenyl)-3-hydroxybutanamide
CID 70557750
(2R)-3-(4-chlorophenyl)-2-iodopropanamide
CID 138478190
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
CID 84673763
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid
CID 45157639
(3S,6R)-1-(4-chlorophenyl)-2,3,6,7-tetrahydroxy-8-phenyloctane-4,5-dione
CID 90985190

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide (CID 66719941) is 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide is NC(=O)C(O)C(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide?
The InChIKey is TVNOOLAFGKBINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-7-3-1-6(2-4-7)5-8(12)9(14)10(13)15/h1-4,8-9,14H,5,12H2,(H2,13,15).
What are the key properties of 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide?
3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide has a molecular weight of 228.68 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide is sourced from PubChem (CID 66719941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).