N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide

C15H21ClN2O2 — CID 108958264

IUPACN-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-5-10(2)17-13(19)15(3,4)14(20)18-12-8-6-11(16)7-9-12/h6-10H,5H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyYFAMALMRLYYOCM-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.22
Rot. Bonds5

About N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide

N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide (PubChem CID 108958264) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
PubChem CID108958264
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-5-10(2)17-13(19)15(3,4)14(20)18-12-8-6-11(16)7-9-12/h6-10H,5H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyYFAMALMRLYYOCM-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108958261
N-butan-2-yl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958327
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
N-(4-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968199
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
CID 108958316
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide (CID 108958264) is N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide is CCC(C)NC(=O)C(C)(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide?
The InChIKey is YFAMALMRLYYOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-5-10(2)17-13(19)15(3,4)14(20)18-12-8-6-11(16)7-9-12/h6-10H,5H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide?
N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide has a molecular weight of 296.80 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).