3,4,5-trichloro-N,N-diethylbenzamide

C11H12Cl3NO — CID 50849492

IUPAC3,4,5-trichloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl3NO/c1-3-15(4-2)11(16)7-5-8(12)10(14)9(13)6-7/h5-6H,3-4H2,1-2H3
InChIKeyWTXMCQDHWXNSHU-UHFFFAOYSA-N
MW280.58 g/mol
LogP4.13
Rot. Bonds3

About 3,4,5-trichloro-N,N-diethylbenzamide

3,4,5-trichloro-N,N-diethylbenzamide (PubChem CID 50849492) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 3,4,5-trichloro-N,N-diethylbenzamide.

Molecular Properties

Compound Name3,4,5-trichloro-N,N-diethylbenzamide
PubChem CID50849492
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name3,4,5-trichloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl3NO/c1-3-15(4-2)11(16)7-5-8(12)10(14)9(13)6-7/h5-6H,3-4H2,1-2H3
InChIKeyWTXMCQDHWXNSHU-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N,N-diethyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 60651938
4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
CID 23857395
3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide
CID 10736703
N,N-diethyl-3,5-diiodobenzamide
CID 66651843
N-butyl-3,4-dichloro-N-ethyl-5-nitrobenzamide
CID 43215514
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61116726
methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
CID 61383603
N,N-diethyl-3,5-di(propan-2-yl)benzamide
CID 71210847
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 115771926
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N,N-diethylbenzamide?
The IUPAC name of 3,4,5-trichloro-N,N-diethylbenzamide (CID 50849492) is 3,4,5-trichloro-N,N-diethylbenzamide.
What is the SMILES notation for 3,4,5-trichloro-N,N-diethylbenzamide?
The canonical SMILES for 3,4,5-trichloro-N,N-diethylbenzamide is CCN(CC)C(=O)c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 3,4,5-trichloro-N,N-diethylbenzamide?
The InChIKey is WTXMCQDHWXNSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-3-15(4-2)11(16)7-5-8(12)10(14)9(13)6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4,5-trichloro-N,N-diethylbenzamide?
3,4,5-trichloro-N,N-diethylbenzamide has a molecular weight of 280.58 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N,N-diethylbenzamide is sourced from PubChem (CID 50849492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).