N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide

C19H22ClN3O2 — CID 137086340

IUPACN-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1N/C(=N/c1ccccc1Cl)NC(=O)C(C)(C)C
InChIInChI=1S/C19H22ClN3O2/c1-19(2,3)17(24)23-18(21-14-10-6-5-9-13(14)20)22-15-11-7-8-12-16(15)25-4/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyNNGIRNKVRCJCDL-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.61
Rot. Bonds3

About N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide

N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide (PubChem CID 137086340) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide
PubChem CID137086340
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1N/C(=N/c1ccccc1Cl)NC(=O)C(C)(C)C
InChIInChI=1S/C19H22ClN3O2/c1-19(2,3)17(24)23-18(21-14-10-6-5-9-13(14)20)22-15-11-7-8-12-16(15)25-4/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyNNGIRNKVRCJCDL-UHFFFAOYSA-N
XLogP4.61
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
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CID 732169
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089
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CID 45000336
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
N-[(E)-1-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18860017
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
ethane;(2-methoxyphenyl)urea
CID 143063924
N-(2-methoxyphenyl)-N'-(2-methylphenyl)ethanimidamide
CID 20660876

Frequently Asked Questions

What is the IUPAC name of N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide (CID 137086340) is N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide is COc1ccccc1N/C(=N/c1ccccc1Cl)NC(=O)C(C)(C)C.
What is the InChIKey of N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide?
The InChIKey is NNGIRNKVRCJCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-19(2,3)17(24)23-18(21-14-10-6-5-9-13(14)20)22-15-11-7-8-12-16(15)25-4/h5-12H,1-4H3,(H2,21,22,23,24).
What are the key properties of N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide?
N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide has a molecular weight of 359.86 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(2-chlorophenyl)-N-(2-methoxyphenyl)carbamimidoyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 137086340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).