4-(4-chlorophenyl)-3-hydroxybutanamide

C10H12ClNO2 — CID 70557750

IUPAC4-(4-chlorophenyl)-3-hydroxybutanamide
SMILESNC(=O)CC(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c11-8-3-1-7(2-4-8)5-9(13)6-10(12)14/h1-4,9,13H,5-6H2,(H2,12,14)
InChIKeyYTBBTCNMJVVKDK-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.12
Rot. Bonds4

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

4-(4-chlorophenyl)-3-hydroxybutanamide (PubChem CID 70557750) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-hydroxybutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-hydroxybutanamide
PubChem CID70557750
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-(4-chlorophenyl)-3-hydroxybutanamide
SMILESNC(=O)CC(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c11-8-3-1-7(2-4-8)5-9(13)6-10(12)14/h1-4,9,13H,5-6H2,(H2,12,14)
InChIKeyYTBBTCNMJVVKDK-UHFFFAOYSA-N
XLogP1.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
(2R)-3-(4-chlorophenyl)-2-iodopropanamide
CID 138478190
3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide
CID 66719941
1-(4-chlorophenyl)-4-methylidenehexan-2-ol
CID 66044338
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide
CID 70062971
(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
(2R)-2-azaniumyl-3-(4-chlorophenyl)propanoate
CID 6918890
methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate
CID 89299505
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-hydroxybutanamide?
The IUPAC name of 4-(4-chlorophenyl)-3-hydroxybutanamide (CID 70557750) is 4-(4-chlorophenyl)-3-hydroxybutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-3-hydroxybutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-3-hydroxybutanamide is NC(=O)CC(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-hydroxybutanamide?
The InChIKey is YTBBTCNMJVVKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-8-3-1-7(2-4-8)5-9(13)6-10(12)14/h1-4,9,13H,5-6H2,(H2,12,14).
What are the key properties of 4-(4-chlorophenyl)-3-hydroxybutanamide?
4-(4-chlorophenyl)-3-hydroxybutanamide has a molecular weight of 213.66 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-hydroxybutanamide is sourced from PubChem (CID 70557750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).