N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide

C17H18ClNO3 — CID 22006815

IUPACN-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide
SMILESCc1cc(O)cc(Cl)c1OCCCNC(=O)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-12-10-14(20)11-15(18)16(12)22-9-5-8-19-17(21)13-6-3-2-4-7-13/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H,19,21)
InChIKeyYQNYIRARTDRPOO-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.55
Rot. Bonds6

About N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide

N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide (PubChem CID 22006815) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide
PubChem CID22006815
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide
SMILESCc1cc(O)cc(Cl)c1OCCCNC(=O)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-12-10-14(20)11-15(18)16(12)22-9-5-8-19-17(21)13-6-3-2-4-7-13/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H,19,21)
InChIKeyYQNYIRARTDRPOO-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.55
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-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 23218369
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
CID 22006893
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
CID 174392041
N-[4-(3-chloro-4-hydroxyphenoxy)butyl]benzamide
CID 151448271
methyl (2S)-3-[4-(3-benzamidopropoxy)-3,5-dichlorophenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 86598318
N-[3-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-2-(trifluoromethyl)benzamide
CID 174394385
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22006727
4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 22006723
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205058
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide?
The IUPAC name of N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide (CID 22006815) is N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide.
What is the SMILES notation for N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide?
The canonical SMILES for N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide is Cc1cc(O)cc(Cl)c1OCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide?
The InChIKey is YQNYIRARTDRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-10-14(20)11-15(18)16(12)22-9-5-8-19-17(21)13-6-3-2-4-7-13/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H,19,21).
What are the key properties of N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide?
N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide has a molecular weight of 319.79 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide is sourced from PubChem (CID 22006815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).