5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

C20H21BrClNO3 — CID 27448908

IUPAC5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(Br)ccc3Cl)CCOCC2)cc1
InChIInChI=1S/C20H21BrClNO3/c1-25-16-5-2-14(3-6-16)20(8-10-26-11-9-20)13-23-19(24)17-12-15(21)4-7-18(17)22/h2-7,12H,8-11,13H2,1H3,(H,23,24)
InChIKeyKFGFXOUCCXXNPO-UHFFFAOYSA-N
MW438.75 g/mol
LogP4.59
Rot. Bonds5

About 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27448908) has the molecular formula C20H21BrClNO3 and a molecular weight of 438.75 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID27448908
Molecular FormulaC20H21BrClNO3
Molecular Weight438.75 g/mol
Exact Mass437.04
IUPAC Name5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(Br)ccc3Cl)CCOCC2)cc1
InChIInChI=1S/C20H21BrClNO3/c1-25-16-5-2-14(3-6-16)20(8-10-26-11-9-20)13-23-19(24)17-12-15(21)4-7-18(17)22/h2-7,12H,8-11,13H2,1H3,(H,23,24)
InChIKeyKFGFXOUCCXXNPO-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.75
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 120625700
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71753557
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
N'-(2-chlorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 27452218
3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 71707663
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2,4-dichloro-5-fluorobenzamide
CID 60524831

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 27448908) is 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3cc(Br)ccc3Cl)CCOCC2)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is KFGFXOUCCXXNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrClNO3/c1-25-16-5-2-14(3-6-16)20(8-10-26-11-9-20)13-23-19(24)17-12-15(21)4-7-18(17)22/h2-7,12H,8-11,13H2,1H3,(H,23,24).
What are the key properties of 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 438.75 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27448908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).