N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide

C20H11BrCl2N2O2 — CID 3998301

IUPACN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H11BrCl2N2O2/c21-14-4-2-1-3-13(14)20-25-17-10-12(6-8-18(17)27-20)24-19(26)11-5-7-15(22)16(23)9-11/h1-10H,(H,24,26)
InChIKeyDKBSUOFZCRPOKI-UHFFFAOYSA-N
MW462.13 g/mol
LogP6.82
Rot. Bonds3

About N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide (PubChem CID 3998301) has the molecular formula C20H11BrCl2N2O2 and a molecular weight of 462.13 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
PubChem CID3998301
Molecular FormulaC20H11BrCl2N2O2
Molecular Weight462.13 g/mol
Exact Mass459.94
IUPAC NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H11BrCl2N2O2/c21-14-4-2-1-3-13(14)20-25-17-10-12(6-8-18(17)27-20)24-19(26)11-5-7-15(22)16(23)9-11/h1-10H,(H,24,26)
InChIKeyDKBSUOFZCRPOKI-UHFFFAOYSA-N
XLogP6.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.13
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
CID 155511738
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 1048657
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1322845
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 17117177
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 2274949
3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
CID 3556146
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 3238969
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
3-bromo-N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 3117294

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide (CID 3998301) is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide is O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide?
The InChIKey is DKBSUOFZCRPOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrCl2N2O2/c21-14-4-2-1-3-13(14)20-25-17-10-12(6-8-18(17)27-20)24-19(26)11-5-7-15(22)16(23)9-11/h1-10H,(H,24,26).
What are the key properties of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide?
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide has a molecular weight of 462.13 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide is sourced from PubChem (CID 3998301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).