2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide

C19H20BrNO2 — CID 1340930

IUPAC2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1Br
InChIInChI=1S/C19H20BrNO2/c20-17-9-5-4-8-16(17)18(22)21-14-19(10-12-23-13-11-19)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22)
InChIKeyRAXUIAHDYPNMOE-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.93
Rot. Bonds4

About 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide

2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 1340930) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID1340930
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1Br
InChIInChI=1S/C19H20BrNO2/c20-17-9-5-4-8-16(17)18(22)21-14-19(10-12-23-13-11-19)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22)
InChIKeyRAXUIAHDYPNMOE-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119945234
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 77085484
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 1340930) is 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is RAXUIAHDYPNMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-17-9-5-4-8-16(17)18(22)21-14-19(10-12-23-13-11-19)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22).
What are the key properties of 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide?
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 374.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 1340930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).