2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide

C14H19Cl2NO4 — CID 119040450

IUPAC2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)NC(CO)CCCO
InChIInChI=1S/C14H19Cl2NO4/c1-9(14(20)17-10(8-19)4-3-7-18)21-12-6-2-5-11(15)13(12)16/h2,5-6,9-10,18-19H,3-4,7-8H2,1H3,(H,17,20)
InChIKeyQJFAYUAOCONVQH-UHFFFAOYSA-N
MW336.22 g/mol
LogP2.01
Rot. Bonds8

About 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide

2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide (PubChem CID 119040450) has the molecular formula C14H19Cl2NO4 and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide
PubChem CID119040450
Molecular FormulaC14H19Cl2NO4
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC Name2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)NC(CO)CCCO
InChIInChI=1S/C14H19Cl2NO4/c1-9(14(20)17-10(8-19)4-3-7-18)21-12-6-2-5-11(15)13(12)16/h2,5-6,9-10,18-19H,3-4,7-8H2,1H3,(H,17,20)
InChIKeyQJFAYUAOCONVQH-UHFFFAOYSA-N
XLogP2.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 113276915
2-[2-(2,3-dichlorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199788
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
2-chloro-6-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 114320340
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 114318673

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide (CID 119040450) is 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide is CC(Oc1cccc(Cl)c1Cl)C(=O)NC(CO)CCCO.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide?
The InChIKey is QJFAYUAOCONVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO4/c1-9(14(20)17-10(8-19)4-3-7-18)21-12-6-2-5-11(15)13(12)16/h2,5-6,9-10,18-19H,3-4,7-8H2,1H3,(H,17,20).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide?
2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide has a molecular weight of 336.22 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-(1,5-dihydroxypentan-2-yl)propanamide is sourced from PubChem (CID 119040450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).