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

C16H16ClNO3 — CID 174392041

IUPACN-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
SMILESO=C(NCCCOc1ccc(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c17-14-11-13(7-8-15(14)19)21-10-4-9-18-16(20)12-5-2-1-3-6-12/h1-3,5-8,11,19H,4,9-10H2,(H,18,20)
InChIKeyVOUUUOCIZAZNFA-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.24
Rot. Bonds6

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

N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide (PubChem CID 174392041) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
PubChem CID174392041
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
SMILESO=C(NCCCOc1ccc(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c17-14-11-13(7-8-15(14)19)21-10-4-9-18-16(20)12-5-2-1-3-6-12/h1-3,5-8,11,19H,4,9-10H2,(H,18,20)
InChIKeyVOUUUOCIZAZNFA-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.24
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-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
CID 151448271
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-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide
CID 22006815
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide?
The IUPAC name of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide (CID 174392041) is N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide.
What is the SMILES notation for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide?
The canonical SMILES for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide is O=C(NCCCOc1ccc(O)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide?
The InChIKey is VOUUUOCIZAZNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-11-13(7-8-15(14)19)21-10-4-9-18-16(20)12-5-2-1-3-6-12/h1-3,5-8,11,19H,4,9-10H2,(H,18,20).
What are the key properties of N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide?
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide has a molecular weight of 305.76 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide is sourced from PubChem (CID 174392041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).