3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide

C17H17BrClN3O2 — CID 90633702

IUPAC3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrClN3O2/c18-12-3-1-2-11(8-12)16(23)22-14-4-6-15(7-5-14)24-17-20-9-13(19)10-21-17/h1-3,8-10,14-15H,4-7H2,(H,22,23)
InChIKeyIUXNMZROZXHVRX-UHFFFAOYSA-N
MW410.70 g/mol
LogP4.01
Rot. Bonds4

About 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide

3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide (PubChem CID 90633702) has the molecular formula C17H17BrClN3O2 and a molecular weight of 410.70 g/mol. Its IUPAC name is 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
PubChem CID90633702
Molecular FormulaC17H17BrClN3O2
Molecular Weight410.70 g/mol
Exact Mass409.02
IUPAC Name3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrClN3O2/c18-12-3-1-2-11(8-12)16(23)22-14-4-6-15(7-5-14)24-17-20-9-13(19)10-21-17/h1-3,8-10,14-15H,4-7H2,(H,22,23)
InChIKeyIUXNMZROZXHVRX-UHFFFAOYSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
CID 90633694
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-morpholin-4-ylbenzamide
CID 90633915
3-bromo-N-(3-methoxycyclopentyl)benzamide
CID 103082479
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
methyl 4-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617105

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide (CID 90633702) is 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide is O=C(NC1CCC(Oc2ncc(Cl)cn2)CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide?
The InChIKey is IUXNMZROZXHVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O2/c18-12-3-1-2-11(8-12)16(23)22-14-4-6-15(7-5-14)24-17-20-9-13(19)10-21-17/h1-3,8-10,14-15H,4-7H2,(H,22,23).
What are the key properties of 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide?
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide has a molecular weight of 410.70 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide is sourced from PubChem (CID 90633702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).