N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide

C13H17ClN2O2 — CID 108940886

IUPACN-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
SMILESCc1cc(Cl)ccc1NC(=O)CC(=O)NC(C)C
InChIInChI=1S/C13H17ClN2O2/c1-8(2)15-12(17)7-13(18)16-11-5-4-10(14)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyMFYZLBBULJPRAO-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.50
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide

N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide (PubChem CID 108940886) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
PubChem CID108940886
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
SMILESCc1cc(Cl)ccc1NC(=O)CC(=O)NC(C)C
InChIInChI=1S/C13H17ClN2O2/c1-8(2)15-12(17)7-13(18)16-11-5-4-10(14)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyMFYZLBBULJPRAO-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.50
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-chloro-2-methylphenyl)propanediamide
CID 108941850
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide (CID 108940886) is N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide is Cc1cc(Cl)ccc1NC(=O)CC(=O)NC(C)C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide?
The InChIKey is MFYZLBBULJPRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(2)15-12(17)7-13(18)16-11-5-4-10(14)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide?
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide has a molecular weight of 268.74 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108940886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).