N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide

C19H22ClN3O4 — CID 90633687

IUPACN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)c(OC)c1
InChIInChI=1S/C19H22ClN3O4/c1-25-15-7-8-16(17(9-15)26-2)18(24)23-13-3-5-14(6-4-13)27-19-21-10-12(20)11-22-19/h7-11,13-14H,3-6H2,1-2H3,(H,23,24)
InChIKeyQYWFMFFGNCUPAD-UHFFFAOYSA-N
MW391.86 g/mol
LogP3.27
Rot. Bonds6

About N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide (PubChem CID 90633687) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
PubChem CID90633687
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC NameN-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)c(OC)c1
InChIInChI=1S/C19H22ClN3O4/c1-25-15-7-8-16(17(9-15)26-2)18(24)23-13-3-5-14(6-4-13)27-19-21-10-12(20)11-22-19/h7-11,13-14H,3-6H2,1-2H3,(H,23,24)
InChIKeyQYWFMFFGNCUPAD-UHFFFAOYSA-N
XLogP3.27
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90633784
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(3-methoxyphenoxy)acetamide
CID 90633739
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
CID 90633694
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide (CID 90633687) is N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCC(Oc3ncc(Cl)cn3)CC2)c(OC)c1.
What is the InChIKey of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide?
The InChIKey is QYWFMFFGNCUPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-25-15-7-8-16(17(9-15)26-2)18(24)23-13-3-5-14(6-4-13)27-19-21-10-12(20)11-22-19/h7-11,13-14H,3-6H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide?
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide has a molecular weight of 391.86 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 90633687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).