N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide

C14H19ClN2O2 — CID 108951471

IUPACN'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
SMILESCc1c(Cl)cccc1NC(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-9-10(15)6-5-7-11(9)16-12(18)8-13(19)17-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyYLSDXKLJPFKSPN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.89
Rot. Bonds3

About N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide

N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide (PubChem CID 108951471) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
PubChem CID108951471
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
SMILESCc1c(Cl)cccc1NC(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-9-10(15)6-5-7-11(9)16-12(18)8-13(19)17-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyYLSDXKLJPFKSPN-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010
2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9039378
3-[[amino-(tert-butylamino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092419
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(3-chloro-2-methylphenyl)-2-isocyanoacetamide
CID 108814646
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469
N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
CID 108954940

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide?
The IUPAC name of N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide (CID 108951471) is N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide.
What is the SMILES notation for N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide?
The canonical SMILES for N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide is Cc1c(Cl)cccc1NC(=O)CC(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide?
The InChIKey is YLSDXKLJPFKSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-10(15)6-5-7-11(9)16-12(18)8-13(19)17-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide?
N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide has a molecular weight of 282.77 g/mol, XLogP of 2.89, 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-(3-chloro-2-methylphenyl)propanediamide is sourced from PubChem (CID 108951471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).