N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide

C14H14Cl2N2O3 — CID 110017546

IUPACN'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
SMILESC#CCNC(=O)CC(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O3/c1-2-5-17-13(20)7-14(21)18-8-12(19)10-4-3-9(15)6-11(10)16/h1,3-4,6,12,19H,5,7-8H2,(H,17,20)(H,18,21)
InChIKeyJABSSHRBOVTNIE-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.28
Rot. Bonds6

About N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide

N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide (PubChem CID 110017546) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
PubChem CID110017546
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC NameN'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
SMILESC#CCNC(=O)CC(=O)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O3/c1-2-5-17-13(20)7-14(21)18-8-12(19)10-4-3-9(15)6-11(10)16/h1,3-4,6,12,19H,5,7-8H2,(H,17,20)(H,18,21)
InChIKeyJABSSHRBOVTNIE-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000203
2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
CID 43112448
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 111115673
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 111115700
N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-N-prop-2-ynylpropanediamide
CID 110017543
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide;hydrochloride
CID 119323089
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114
2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111831116
cis-(1S,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701417

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide?
The IUPAC name of N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide (CID 110017546) is N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide?
The canonical SMILES for N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide is C#CCNC(=O)CC(=O)NCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide?
The InChIKey is JABSSHRBOVTNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-2-5-17-13(20)7-14(21)18-8-12(19)10-4-3-9(15)6-11(10)16/h1,3-4,6,12,19H,5,7-8H2,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide?
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide has a molecular weight of 329.18 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide is sourced from PubChem (CID 110017546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).