5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one

C14H10BrClN2O2 — CID 66160922

IUPAC5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3cc(Cl)ccc3Br)ccc2o1
InChIInChI=1S/C14H10BrClN2O2/c15-11-3-1-9(16)5-8(11)7-17-10-2-4-13-12(6-10)18-14(19)20-13/h1-6,17H,7H2,(H,18,19)
InChIKeyPZUGIOVMVUACEN-UHFFFAOYSA-N
MW353.60 g/mol
LogP4.15
Rot. Bonds3

About 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one

5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 66160922) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID66160922
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3cc(Cl)ccc3Br)ccc2o1
InChIInChI=1S/C14H10BrClN2O2/c15-11-3-1-9(16)5-8(11)7-17-10-2-4-13-12(6-10)18-14(19)20-13/h1-6,17H,7H2,(H,18,19)
InChIKeyPZUGIOVMVUACEN-UHFFFAOYSA-N
XLogP4.15
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bromo-5-methoxyphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 103096874
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
5-[(5-bromo-2-methoxyphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741525
5-[(3-bromophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741453
2-(2,4-dichlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37091055
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337
5-[(5-iodofuran-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43790112
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one (CID 66160922) is 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(NCc3cc(Cl)ccc3Br)ccc2o1.
What is the InChIKey of 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is PZUGIOVMVUACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-11-3-1-9(16)5-8(11)7-17-10-2-4-13-12(6-10)18-14(19)20-13/h1-6,17H,7H2,(H,18,19).
What are the key properties of 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one?
5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 353.60 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 66160922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).