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

C21H14BrClN2O2 — CID 23731964

IUPACN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl
InChIInChI=1S/C21H14BrClN2O2/c1-12-6-7-13(10-17(12)23)20(26)24-14-8-9-19-18(11-14)25-21(27-19)15-4-2-3-5-16(15)22/h2-11H,1H3,(H,24,26)
InChIKeyFUIMWJUZMOXNTB-UHFFFAOYSA-N
MW441.71 g/mol
LogP6.47
Rot. Bonds3

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

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide (PubChem CID 23731964) has the molecular formula C21H14BrClN2O2 and a molecular weight of 441.71 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
PubChem CID23731964
Molecular FormulaC21H14BrClN2O2
Molecular Weight441.71 g/mol
Exact Mass439.99
IUPAC NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl
InChIInChI=1S/C21H14BrClN2O2/c1-12-6-7-13(10-17(12)23)20(26)24-14-8-9-19-18(11-14)25-21(27-19)15-4-2-3-5-16(15)22/h2-11H,1H3,(H,24,26)
InChIKeyFUIMWJUZMOXNTB-UHFFFAOYSA-N
XLogP6.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.71
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
CID 155511738
3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
CID 3556146
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 1048657
N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 23959755
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
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
3-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 2911857
N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide
CID 2279569
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 2274949
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
CID 3120651

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide?
The IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide (CID 23731964) is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide?
The canonical SMILES for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl.
What is the InChIKey of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide?
The InChIKey is FUIMWJUZMOXNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrClN2O2/c1-12-6-7-13(10-17(12)23)20(26)24-14-8-9-19-18(11-14)25-21(27-19)15-4-2-3-5-16(15)22/h2-11H,1H3,(H,24,26).
What are the key properties of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide?
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide has a molecular weight of 441.71 g/mol, XLogP of 6.47, 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-chloro-4-methylbenzamide is sourced from PubChem (CID 23731964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).