2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide

C12H12Cl2N2O — CID 43113383

IUPAC2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-3-6-15-12(17)8(2)16-11-7-9(13)4-5-10(11)14/h1,4-5,7-8,16H,6H2,2H3,(H,15,17)
InChIKeyYRLCWMOIOHZCLK-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.54
Rot. Bonds4

About 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide

2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide (PubChem CID 43113383) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide
PubChem CID43113383
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-3-6-15-12(17)8(2)16-11-7-9(13)4-5-10(11)14/h1,4-5,7-8,16H,6H2,2H3,(H,15,17)
InChIKeyYRLCWMOIOHZCLK-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.54
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-(2-chloroanilino)-N-prop-2-ynylpropanamide
CID 43113364
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
2-(3-chloro-2-methylanilino)-N-prop-2-ynylpropanamide
CID 43113423
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
CID 43112448
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
2-(2-chloro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 114252029
2-(2,5-dibromoanilino)-N-prop-2-ynylpropanamide
CID 54955276
tert-butyl 2-(2,5-dichloroanilino)propanoate
CID 66337577
2-anilino-N-prop-2-ynylpropanamide
CID 43112793
2-(4-fluoro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 55118922
(2S)-2-(2,5-dichloroanilino)-3-methylbutanoic acid
CID 54336195

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide (CID 43113383) is 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide?
The InChIKey is YRLCWMOIOHZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-3-6-15-12(17)8(2)16-11-7-9(13)4-5-10(11)14/h1,4-5,7-8,16H,6H2,2H3,(H,15,17).
What are the key properties of 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide?
2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide has a molecular weight of 271.15 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43113383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).