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

C19H18BrCl2NO2 — CID 27449067

IUPAC5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H18BrCl2NO2/c20-14-3-6-17(22)16(11-14)18(24)23-12-19(7-9-25-10-8-19)13-1-4-15(21)5-2-13/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeyLQXYRJKXWVWPRP-UHFFFAOYSA-N
MW443.17 g/mol
LogP5.23
Rot. Bonds4

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

5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27449067) has the molecular formula C19H18BrCl2NO2 and a molecular weight of 443.17 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
PubChem CID27449067
Molecular FormulaC19H18BrCl2NO2
Molecular Weight443.17 g/mol
Exact Mass440.99
IUPAC Name5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H18BrCl2NO2/c20-14-3-6-17(22)16(11-14)18(24)23-12-19(7-9-25-10-8-19)13-1-4-15(21)5-2-13/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeyLQXYRJKXWVWPRP-UHFFFAOYSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.17
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2,4-dichloro-5-fluorobenzamide
CID 60524831
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
CID 55865048
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119945234
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 60620970
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,3-dimethoxybenzamide
CID 27449051

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide (CID 27449067) is 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide is O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is LQXYRJKXWVWPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrCl2NO2/c20-14-3-6-17(22)16(11-14)18(24)23-12-19(7-9-25-10-8-19)13-1-4-15(21)5-2-13/h1-6,11H,7-10,12H2,(H,23,24).
What are the key properties of 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide?
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 443.17 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27449067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).