2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide

C14H16Cl2N2O — CID 43112448

IUPAC2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-4-7-17-14(19)10(3)18-9(2)12-6-5-11(15)8-13(12)16/h1,5-6,8-10,18H,7H2,2-3H3,(H,17,19)
InChIKeyIVDVBDGMQKAGAG-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.78
Rot. Bonds5

About 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide

2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide (PubChem CID 43112448) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
PubChem CID43112448
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-4-7-17-14(19)10(3)18-9(2)12-6-5-11(15)8-13(12)16/h1,5-6,8-10,18H,7H2,2-3H3,(H,17,19)
InChIKeyIVDVBDGMQKAGAG-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide
CID 43113383
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide
CID 115597077
methyl 3-[1-(2,4-dichlorophenyl)ethylamino]butanoate
CID 43536724
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-N-prop-2-ynylpropanamide
CID 81356785
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
2-[1-(2,4-dichlorophenyl)ethylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79269970
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 86908821
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide (CID 43112448) is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide?
The InChIKey is IVDVBDGMQKAGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-4-7-17-14(19)10(3)18-9(2)12-6-5-11(15)8-13(12)16/h1,5-6,8-10,18H,7H2,2-3H3,(H,17,19).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide?
2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide has a molecular weight of 299.20 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43112448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).