4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide

C11H11ClN2O3 — CID 171899210

IUPAC4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide
SMILESN#Cc1cc(Cl)ccc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H11ClN2O3/c12-7-1-2-8(6(3-7)5-13)11(17)9(15)4-10(14)16/h1-3,9,11,15,17H,4H2,(H2,14,16)
InChIKeyYJHPFLSGHGSUJR-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.48
Rot. Bonds4

About 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide

4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide (PubChem CID 171899210) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide
PubChem CID171899210
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide
SMILESN#Cc1cc(Cl)ccc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H11ClN2O3/c12-7-1-2-8(6(3-7)5-13)11(17)9(15)4-10(14)16/h1-3,9,11,15,17H,4H2,(H2,14,16)
InChIKeyYJHPFLSGHGSUJR-UHFFFAOYSA-N
XLogP0.48
TPSA107.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877711
ethyl 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanoate
CID 171897418
4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide
CID 171900253
4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899617
N-[4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutyl]acetamide
CID 171883085
4-(5-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877710
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
4-(5-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899616
4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171899303
4-[5-(cyanomethyl)-2-fluorophenyl]-3,4-dihydroxybutanamide
CID 171899586
4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877376
3-amino-4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899635

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide (CID 171899210) is 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide is N#Cc1cc(Cl)ccc1C(O)C(O)CC(N)=O.
What is the InChIKey of 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide?
The InChIKey is YJHPFLSGHGSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-7-1-2-8(6(3-7)5-13)11(17)9(15)4-10(14)16/h1-3,9,11,15,17H,4H2,(H2,14,16).
What are the key properties of 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide?
4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide has a molecular weight of 254.67 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).