N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide

C15H21ClN2O2 — CID 108965988

IUPACN-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-14(2,3)18-13(20)15(4,5)12(19)17-11-9-7-6-8-10(11)16/h6-9H,1-5H3,(H,17,19)(H,18,20)
InChIKeyQIVLXRAKEGEBNA-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.22
Rot. Bonds3

About N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide

N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108965988) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108965988
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-14(2,3)18-13(20)15(4,5)12(19)17-11-9-7-6-8-10(11)16/h6-9H,1-5H3,(H,17,19)(H,18,20)
InChIKeyQIVLXRAKEGEBNA-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108966056
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968862
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108968909
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
CID 3277317

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide (CID 108965988) is N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide is CC(C)(C)NC(=O)C(C)(C)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is QIVLXRAKEGEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-14(2,3)18-13(20)15(4,5)12(19)17-11-9-7-6-8-10(11)16/h6-9H,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide?
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 296.80 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).