N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide

C14H20ClNO3 — CID 43324858

IUPACN-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1CO
InChIInChI=1S/C14H20ClNO3/c1-4-9(2)16-14(18)10(3)19-13-6-5-12(15)7-11(13)8-17/h5-7,9-10,17H,4,8H2,1-3H3,(H,16,18)
InChIKeyVTSCXCDENRYERV-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.51
Rot. Bonds6

About N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide

N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide (PubChem CID 43324858) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
PubChem CID43324858
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1CO
InChIInChI=1S/C14H20ClNO3/c1-4-9(2)16-14(18)10(3)19-13-6-5-12(15)7-11(13)8-17/h5-7,9-10,17H,4,8H2,1-3H3,(H,16,18)
InChIKeyVTSCXCDENRYERV-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
CID 62304828
N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide
CID 82917275
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43141884
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
CID 60905305
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide (CID 43324858) is N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide is CCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1CO.
What is the InChIKey of N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is VTSCXCDENRYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-9(2)16-14(18)10(3)19-13-6-5-12(15)7-11(13)8-17/h5-7,9-10,17H,4,8H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide?
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 285.77 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 43324858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).