3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide

C16H16ClNO3 — CID 18115620

IUPAC3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C16H16ClNO3/c1-11-3-2-4-13(9-11)21-8-7-18-16(20)12-5-6-15(19)14(17)10-12/h2-6,9-10,19H,7-8H2,1H3,(H,18,20)
InChIKeyBIDSHBNUJYXKNI-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.16
Rot. Bonds5

About 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide

3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 18115620) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID18115620
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C16H16ClNO3/c1-11-3-2-4-13(9-11)21-8-7-18-16(20)12-5-6-15(19)14(17)10-12/h2-6,9-10,19H,7-8H2,1H3,(H,18,20)
InChIKeyBIDSHBNUJYXKNI-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.16
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

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-chloro-N-[2-(3-methylphenoxy)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17488166
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
CID 31326626
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[2-chloro-5-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27859245
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 18115620) is 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2ccc(O)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is BIDSHBNUJYXKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-11-3-2-4-13(9-11)21-8-7-18-16(20)12-5-6-15(19)14(17)10-12/h2-6,9-10,19H,7-8H2,1H3,(H,18,20).
What are the key properties of 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 305.76 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 18115620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).