5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

C18H20ClN3O3 — CID 90633270

IUPAC5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H20ClN3O3/c1-24-16-8-3-12(19)11-15(16)17(23)22-13-4-6-14(7-5-13)25-18-20-9-2-10-21-18/h2-3,8-11,13-14H,4-7H2,1H3,(H,22,23)
InChIKeyWALJTILHFDJTLY-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.26
Rot. Bonds5

About 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide

5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (PubChem CID 90633270) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
PubChem CID90633270
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H20ClN3O3/c1-24-16-8-3-12(19)11-15(16)17(23)22-13-4-6-14(7-5-13)25-18-20-9-2-10-21-18/h2-3,8-11,13-14H,4-7H2,1H3,(H,22,23)
InChIKeyWALJTILHFDJTLY-UHFFFAOYSA-N
XLogP3.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide 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-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide
CID 90633367
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633335
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
5-chloro-2-cyclopentyloxy-N-(4-hydroxycyclohexyl)benzamide
CID 111778241
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90633784
5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
CID 91626280

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide (CID 90633270) is 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is COc1ccc(Cl)cc1C(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
The InChIKey is WALJTILHFDJTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-24-16-8-3-12(19)11-15(16)17(23)22-13-4-6-14(7-5-13)25-18-20-9-2-10-21-18/h2-3,8-11,13-14H,4-7H2,1H3,(H,22,23).
What are the key properties of 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide?
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide has a molecular weight of 361.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide is sourced from PubChem (CID 90633270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).