4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide

C11H13Cl2NO2 — CID 82110368

IUPAC4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide
SMILESO=C(CCCCl)NCc1cc(Cl)ccc1O
InChIInChI=1S/C11H13Cl2NO2/c12-5-1-2-11(16)14-7-8-6-9(13)3-4-10(8)15/h3-4,6,15H,1-2,5,7H2,(H,14,16)
InChIKeyAPRWDLJIIDUGSF-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.68
Rot. Bonds5

About 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide

4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide (PubChem CID 82110368) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide
PubChem CID82110368
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide
SMILESO=C(CCCCl)NCc1cc(Cl)ccc1O
InChIInChI=1S/C11H13Cl2NO2/c12-5-1-2-11(16)14-7-8-6-9(13)3-4-10(8)15/h3-4,6,15H,1-2,5,7H2,(H,14,16)
InChIKeyAPRWDLJIIDUGSF-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
N-[(5-chloro-2-fluorophenyl)methyl]-3-sulfanylpropanamide
CID 115167873
3-[(5-chloro-2-hydroxyphenyl)methylamino]propanoic acid
CID 43139894
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
4-chloro-2-(6-chlorohexyl)phenol
CID 139899855
[(5-chloro-2-hydroxyphenyl)methylamino]carbamic acid
CID 123714049
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]butanamide
CID 107216596
N-[(5-amino-2-hydroxyphenyl)methyl]octanamide
CID 43548602
7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
CID 119779149
2-[(4-aminobutylamino)methyl]-4-chlorophenol
CID 60894703
2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986726

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide?
The IUPAC name of 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide (CID 82110368) is 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide is O=C(CCCCl)NCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide?
The InChIKey is APRWDLJIIDUGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-5-1-2-11(16)14-7-8-6-9(13)3-4-10(8)15/h3-4,6,15H,1-2,5,7H2,(H,14,16).
What are the key properties of 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide?
4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide has a molecular weight of 262.14 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide is sourced from PubChem (CID 82110368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).