N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide

C19H18BrClFNO2 — CID 55865048

IUPACN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C19H18BrClFNO2/c20-14-3-1-2-13(10-14)19(6-8-25-9-7-19)12-23-18(24)16-11-15(21)4-5-17(16)22/h1-5,10-11H,6-9,12H2,(H,23,24)
InChIKeyXADNWTZHMUZMKN-UHFFFAOYSA-N
MW426.71 g/mol
LogP4.72
Rot. Bonds4

About N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide (PubChem CID 55865048) has the molecular formula C19H18BrClFNO2 and a molecular weight of 426.71 g/mol. Its IUPAC name is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
PubChem CID55865048
Molecular FormulaC19H18BrClFNO2
Molecular Weight426.71 g/mol
Exact Mass425.02
IUPAC NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C19H18BrClFNO2/c20-14-3-1-2-13(10-14)19(6-8-25-9-7-19)12-23-18(24)16-11-15(21)4-5-17(16)22/h1-5,10-11H,6-9,12H2,(H,23,24)
InChIKeyXADNWTZHMUZMKN-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-1-benzofuran-2-carboxamide
CID 55862229
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-methylthiophene-2-carboxamide
CID 55865433
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-N'-[3-(4-chlorophenyl)cyclobutyl]oxamide
CID 166332734
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948249
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
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide?
The IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide (CID 55865048) is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide is O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide?
The InChIKey is XADNWTZHMUZMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClFNO2/c20-14-3-1-2-13(10-14)19(6-8-25-9-7-19)12-23-18(24)16-11-15(21)4-5-17(16)22/h1-5,10-11H,6-9,12H2,(H,23,24).
What are the key properties of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide?
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide has a molecular weight of 426.71 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 55865048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).