N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide

C18H19BrN2O2 — CID 129145042

IUPACN-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
SMILESC[C@@H]1CNC[C@H](c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)O1
InChIInChI=1S/C18H19BrN2O2/c1-12-10-20-11-17(23-12)13-2-4-14(5-3-13)18(22)21-16-8-6-15(19)7-9-16/h2-9,12,17,20H,10-11H2,1H3,(H,21,22)/t12-,17-/m1/s1
InChIKeyFWRXMFABTUSGPY-SJKOYZFVSA-N
MW375.27 g/mol
LogP3.75
Rot. Bonds3

About N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide

N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide (PubChem CID 129145042) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
PubChem CID129145042
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
SMILESC[C@@H]1CNC[C@H](c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)O1
InChIInChI=1S/C18H19BrN2O2/c1-12-10-20-11-17(23-12)13-2-4-14(5-3-13)18(22)21-16-8-6-15(19)7-9-16/h2-9,12,17,20H,10-11H2,1H3,(H,21,22)/t12-,17-/m1/s1
InChIKeyFWRXMFABTUSGPY-SJKOYZFVSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
CID 145006175
6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
CID 76758483
3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride
CID 67239771
3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide
CID 145006151
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide
CID 102633567
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide
CID 67238737
4-bromo-N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]benzamide
CID 110637728
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide (CID 129145042) is N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide is C[C@@H]1CNC[C@H](c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)O1.
What is the InChIKey of N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide?
The InChIKey is FWRXMFABTUSGPY-SJKOYZFVSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-10-20-11-17(23-12)13-2-4-14(5-3-13)18(22)21-16-8-6-15(19)7-9-16/h2-9,12,17,20H,10-11H2,1H3,(H,21,22)/t12-,17-/m1/s1.
What are the key properties of N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide?
N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide is sourced from PubChem (CID 129145042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).