N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide

C14H19ClN2O2 — CID 108941850

IUPACN'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
SMILESCCC(C)NC(=O)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H19ClN2O2/c1-4-10(3)16-13(18)8-14(19)17-12-6-5-11(15)7-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJOEPSJKQUXSERO-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.89
Rot. Bonds5

About N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide

N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide (PubChem CID 108941850) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
PubChem CID108941850
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
SMILESCCC(C)NC(=O)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H19ClN2O2/c1-4-10(3)16-13(18)8-14(19)17-12-6-5-11(15)7-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJOEPSJKQUXSERO-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.89
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-(2,4-dichlorophenyl)propanediamide
CID 108941910
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
CID 108941829
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide?
The IUPAC name of N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide (CID 108941850) is N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide.
What is the SMILES notation for N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide?
The canonical SMILES for N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide is CCC(C)NC(=O)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide?
The InChIKey is JOEPSJKQUXSERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-10(3)16-13(18)8-14(19)17-12-6-5-11(15)7-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide?
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide has a molecular weight of 282.77 g/mol, XLogP of 2.89, 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-chloro-2-methylphenyl)propanediamide is sourced from PubChem (CID 108941850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).