N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide

C17H18ClNO3 — CID 110025035

IUPACN-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
SMILESCOc1c(Cl)cccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-17(21,12-7-4-3-5-8-12)11-15(20)19-14-10-6-9-13(18)16(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyMKOCMTBLRQTEOP-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.58
Rot. Bonds5

About N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide

N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide (PubChem CID 110025035) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
PubChem CID110025035
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
SMILESCOc1c(Cl)cccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-17(21,12-7-4-3-5-8-12)11-15(20)19-14-10-6-9-13(18)16(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyMKOCMTBLRQTEOP-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
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3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide (CID 110025035) is N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide is COc1c(Cl)cccc1NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is MKOCMTBLRQTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-17(21,12-7-4-3-5-8-12)11-15(20)19-14-10-6-9-13(18)16(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide?
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 319.79 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).