N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide

C17H18ClNO3 — CID 151448271

IUPACN-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
SMILESO=C(NCCCCOc1ccc(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c18-15-12-14(8-9-16(15)20)22-11-5-4-10-19-17(21)13-6-2-1-3-7-13/h1-3,6-9,12,20H,4-5,10-11H2,(H,19,21)
InChIKeyPFYJVSKGQLTKAY-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.63
Rot. Bonds7

About N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide

N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide (PubChem CID 151448271) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
PubChem CID151448271
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
SMILESO=C(NCCCCOc1ccc(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c18-15-12-14(8-9-16(15)20)22-11-5-4-10-19-17(21)13-6-2-1-3-7-13/h1-3,6-9,12,20H,4-5,10-11H2,(H,19,21)
InChIKeyPFYJVSKGQLTKAY-UHFFFAOYSA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
CID 174392041
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethoxy)benzamide
CID 174391022
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
CID 174406685
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide
CID 174438145
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606
N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide
CID 22006815
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide?
The IUPAC name of N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide (CID 151448271) is N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide.
What is the SMILES notation for N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide?
The canonical SMILES for N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide is O=C(NCCCCOc1ccc(O)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide?
The InChIKey is PFYJVSKGQLTKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-15-12-14(8-9-16(15)20)22-11-5-4-10-19-17(21)13-6-2-1-3-7-13/h1-3,6-9,12,20H,4-5,10-11H2,(H,19,21).
What are the key properties of N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide?
N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide has a molecular weight of 319.79 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide is sourced from PubChem (CID 151448271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).