N-tert-butyl-2,4-dichlorobenzamide

C11H13Cl2NO — CID 5181757

IUPACN-tert-butyl-2,4-dichlorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15)
InChIKeyOFYMPLOWRZYCTN-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.52
Rot. Bonds1

About N-tert-butyl-2,4-dichlorobenzamide

N-tert-butyl-2,4-dichlorobenzamide (PubChem CID 5181757) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is N-tert-butyl-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-2,4-dichlorobenzamide
PubChem CID5181757
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC NameN-tert-butyl-2,4-dichlorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15)
InChIKeyOFYMPLOWRZYCTN-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-2,4-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zoxamide
CID 122087
Propyzamide
CID 32154
2,6-Dichlorobenzamide
CID 16183
3,5-Dichloro-N-(1,1-dimethyl-2-oxopropyl)benzamide
CID 3015486
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
2,4-Dichlorobenzamide
CID 75556
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
N-Benzyl-2-chloro-benzamide
CID 347073
Benzamide, 4-chloro-N-methyl-
CID 101339
3,5-dichloro-4-methyl-N-(3-methyl-2-oxopentan-3-yl)benzamide
CID 11087961
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-dichlorobenzamide?
The IUPAC name of N-tert-butyl-2,4-dichlorobenzamide (CID 5181757) is N-tert-butyl-2,4-dichlorobenzamide.
What is the SMILES notation for N-tert-butyl-2,4-dichlorobenzamide?
The canonical SMILES for N-tert-butyl-2,4-dichlorobenzamide is CC(C)(C)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-2,4-dichlorobenzamide?
The InChIKey is OFYMPLOWRZYCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-11(2,3)14-10(15)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2,4-dichlorobenzamide?
N-tert-butyl-2,4-dichlorobenzamide has a molecular weight of 246.14 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dichlorobenzamide is sourced from PubChem (CID 5181757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).