N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide

C25H25BrN2O3 — CID 55888749

IUPACN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C25H25BrN2O3/c26-22-7-2-6-21(15-22)25(9-12-30-13-10-25)18-28-24(29)20-5-1-8-23(14-20)31-17-19-4-3-11-27-16-19/h1-8,11,14-16H,9-10,12-13,17-18H2,(H,28,29)
InChIKeyUOGSEENUHXUITH-UHFFFAOYSA-N
MW481.39 g/mol
LogP4.90
Rot. Bonds7

About N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55888749) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55888749
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C25H25BrN2O3/c26-22-7-2-6-21(15-22)25(9-12-30-13-10-25)18-28-24(29)20-5-1-8-23(14-20)31-17-19-4-3-11-27-16-19/h1-8,11,14-16H,9-10,12-13,17-18H2,(H,28,29)
InChIKeyUOGSEENUHXUITH-UHFFFAOYSA-N
XLogP4.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3,4-diethoxybenzamide
CID 60524869
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methylsulfonylbenzamide
CID 55889890
3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 86954115
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-(3-methyl-2-morpholin-4-ylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55775479
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide
CID 60524682
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51120737
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 60551800
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55888742

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55888749) is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide is O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is UOGSEENUHXUITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c26-22-7-2-6-21(15-22)25(9-12-30-13-10-25)18-28-24(29)20-5-1-8-23(14-20)31-17-19-4-3-11-27-16-19/h1-8,11,14-16H,9-10,12-13,17-18H2,(H,28,29).
What are the key properties of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 481.39 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55888749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).