2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide

C13H18ClNO3 — CID 113276915

IUPAC2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cccc(Cl)c1CO
InChIInChI=1S/C13H18ClNO3/c1-8(2)15-13(17)9(3)18-12-6-4-5-11(14)10(12)7-16/h4-6,8-9,16H,7H2,1-3H3,(H,15,17)
InChIKeyNHJJFYIVMBUDSV-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.12
Rot. Bonds5

About 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide

2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 113276915) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID113276915
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cccc(Cl)c1CO
InChIInChI=1S/C13H18ClNO3/c1-8(2)15-13(17)9(3)18-12-6-4-5-11(14)10(12)7-16/h4-6,8-9,16H,7H2,1-3H3,(H,15,17)
InChIKeyNHJJFYIVMBUDSV-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 114318673
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 114321561
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670
2-chloro-6-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 114320340
2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 113277246
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
(2-chloro-6-pentan-3-yloxyphenyl)methanol
CID 114320524
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 114319148
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-ethylpropanamide
CID 113277086
2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide
CID 119040450

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide (CID 113276915) is 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1cccc(Cl)c1CO.
What is the InChIKey of 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is NHJJFYIVMBUDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-8(2)15-13(17)9(3)18-12-6-4-5-11(14)10(12)7-16/h4-6,8-9,16H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide?
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 271.74 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113276915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).