N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide

C19H18ClN3O3 — CID 108969258

IUPACN-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C#N)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-19(2,18(25)23-15-7-5-4-6-12(15)11-21)17(24)22-13-8-9-16(26-3)14(20)10-13/h4-10H,1-3H3,(H,22,24)(H,23,25)
InChIKeyFSJNURYMPSQTJX-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.82
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide

N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide (PubChem CID 108969258) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
PubChem CID108969258
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C#N)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-19(2,18(25)23-15-7-5-4-6-12(15)11-21)17(24)22-13-8-9-16(26-3)14(20)10-13/h4-10H,1-3H3,(H,22,24)(H,23,25)
InChIKeyFSJNURYMPSQTJX-UHFFFAOYSA-N
XLogP3.82
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969671
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969247
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyanoanilino)prop-2-enamide
CID 108825772
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970103
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317442
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438825
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-cyanophenoxy)-2-phenylacetamide
CID 7433371

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide (CID 108969258) is N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C#N)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide?
The InChIKey is FSJNURYMPSQTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-19(2,18(25)23-15-7-5-4-6-12(15)11-21)17(24)22-13-8-9-16(26-3)14(20)10-13/h4-10H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide?
N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide has a molecular weight of 371.82 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).