4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide

C21H23Cl2N3O4 — CID 170622647

IUPAC4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O4/c1-26(29-2)21(28)14-3-7-16(8-4-14)25-19(27)13-5-9-17(10-6-13)30-20-18(23)11-15(22)12-24-20/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,25,27)
InChIKeyWUAUOFXVKLGRJS-UHFFFAOYSA-N
MW452.34 g/mol
LogP4.60
Rot. Bonds6

About 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide

4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide (PubChem CID 170622647) has the molecular formula C21H23Cl2N3O4 and a molecular weight of 452.34 g/mol. Its IUPAC name is 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide
PubChem CID170622647
Molecular FormulaC21H23Cl2N3O4
Molecular Weight452.34 g/mol
Exact Mass451.11
IUPAC Name4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O4/c1-26(29-2)21(28)14-3-7-16(8-4-14)25-19(27)13-5-9-17(10-6-13)30-20-18(23)11-15(22)12-24-20/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,25,27)
InChIKeyWUAUOFXVKLGRJS-UHFFFAOYSA-N
XLogP4.60
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]benzamide
CID 170622621
4-[(3,5-dichloro-2-pyridinyl)oxy]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;formamide
CID 170622636
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
N-methoxy-N-methyl-4-(methylamino)benzamide
CID 130666687
N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 36556294
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790
4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554246
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide (CID 170622647) is 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(NC(=O)C2CCC(Oc3ncc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide?
The InChIKey is WUAUOFXVKLGRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4/c1-26(29-2)21(28)14-3-7-16(8-4-14)25-19(27)13-5-9-17(10-6-13)30-20-18(23)11-15(22)12-24-20/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,25,27).
What are the key properties of 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide?
4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide has a molecular weight of 452.34 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,5-dichloro-2-pyridinyl)oxy]cyclohexanecarbonyl]amino]-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 170622647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).