2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide

C10H9Cl2NO2 — CID 102548411

IUPAC2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide
SMILESO=C(NCC1CO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO2/c11-6-1-2-8(9(12)3-6)10(14)13-4-7-5-15-7/h1-3,7H,4-5H2,(H,13,14)
InChIKeyIJUYRVYLXBFPMT-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.12
Rot. Bonds3

About 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide

2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide (PubChem CID 102548411) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide
PubChem CID102548411
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide
SMILESO=C(NCC1CO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO2/c11-6-1-2-8(9(12)3-6)10(14)13-4-7-5-15-7/h1-3,7H,4-5H2,(H,13,14)
InChIKeyIJUYRVYLXBFPMT-UHFFFAOYSA-N
XLogP2.12
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
3,4-dichloro-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180754
2-chloro-N-(1,4-dioxan-2-ylmethyl)-4-nitrobenzamide
CID 47296658
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluorobenzamide
CID 51230523
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
5-[(2,4-dichlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5109469
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide (CID 102548411) is 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide is O=C(NCC1CO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide?
The InChIKey is IJUYRVYLXBFPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-6-1-2-8(9(12)3-6)10(14)13-4-7-5-15-7/h1-3,7H,4-5H2,(H,13,14).
What are the key properties of 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide?
2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide has a molecular weight of 246.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide is sourced from PubChem (CID 102548411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).