N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide

C20H23ClN2O2 — CID 108962321

IUPACN-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-14-10-11-16(21)12-17(14)22-18(24)20(2,3)19(25)23(4)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,22,24)
InChIKeyJQIKAJZUQQCEJD-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.27
Rot. Bonds5

About N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide

N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide (PubChem CID 108962321) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide
PubChem CID108962321
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-14-10-11-16(21)12-17(14)22-18(24)20(2,3)19(25)23(4)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,22,24)
InChIKeyJQIKAJZUQQCEJD-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(4-chloro-2-methoxy-5-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962370
1-benzyl-3-(5-chloro-2-methylphenyl)-1-methylthiourea
CID 127514505
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
N-benzyl-N'-[2-(4-chlorophenyl)ethyl]-N,2,2-trimethylpropanediamide
CID 108962265
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide
CID 108962378
N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962380
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093
3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119676324
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
N-(5-chloro-2-methylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964386
N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964558

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide?
The IUPAC name of N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide (CID 108962321) is N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide.
What is the SMILES notation for N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide?
The canonical SMILES for N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide is Cc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide?
The InChIKey is JQIKAJZUQQCEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-10-11-16(21)12-17(14)22-18(24)20(2,3)19(25)23(4)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,22,24).
What are the key properties of N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide?
N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide has a molecular weight of 358.87 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(5-chloro-2-methylphenyl)-N,2,2-trimethylpropanediamide is sourced from PubChem (CID 108962321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).