N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide

C14H15Cl3N2O — CID 54816391

IUPACN,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESC=CCN(CC=C)C(=O)CNc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl3N2O/c1-3-5-19(6-4-2)14(20)9-18-13-8-11(16)10(15)7-12(13)17/h3-4,7-8,18H,1-2,5-6,9H2
InChIKeyHQEGZJZLSYWWOX-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.26
Rot. Bonds7

About N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide

N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 54816391) has the molecular formula C14H15Cl3N2O and a molecular weight of 333.65 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide
PubChem CID54816391
Molecular FormulaC14H15Cl3N2O
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC NameN,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESC=CCN(CC=C)C(=O)CNc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl3N2O/c1-3-5-19(6-4-2)14(20)9-18-13-8-11(16)10(15)7-12(13)17/h3-4,7-8,18H,1-2,5-6,9H2
InChIKeyHQEGZJZLSYWWOX-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide (CID 54816391) is N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide is C=CCN(CC=C)C(=O)CNc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is HQEGZJZLSYWWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O/c1-3-5-19(6-4-2)14(20)9-18-13-8-11(16)10(15)7-12(13)17/h3-4,7-8,18H,1-2,5-6,9H2.
What are the key properties of N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide?
N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 333.65 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 54816391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).