N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide

C10H8BrClN2O2 — CID 146094446

IUPACN-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide
SMILESCc1nc2cc(Br)cc(NC(=O)CCl)c2o1
InChIInChI=1S/C10H8BrClN2O2/c1-5-13-7-2-6(11)3-8(10(7)16-5)14-9(15)4-12/h2-3H,4H2,1H3,(H,14,15)
InChIKeyQNHTYKTZMLCOBN-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.08
Rot. Bonds2

About N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide

N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide (PubChem CID 146094446) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide
PubChem CID146094446
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC NameN-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide
SMILESCc1nc2cc(Br)cc(NC(=O)CCl)c2o1
InChIInChI=1S/C10H8BrClN2O2/c1-5-13-7-2-6(11)3-8(10(7)16-5)14-9(15)4-12/h2-3H,4H2,1H3,(H,14,15)
InChIKeyQNHTYKTZMLCOBN-UHFFFAOYSA-N
XLogP3.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-(cyanomethylsulfanyl)acetamide
CID 99833187
2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
CID 83903209
N-[4-[2-[(5-bromo-2-methyl-1,3-benzoxazol-7-yl)carbamoylamino]ethyl]phenyl]acetamide
CID 99793928
5-bromo-2-methyl-1,3-benzoxazol-7-ol
CID 125494330
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
1-[(5-bromo-2-methyl-1,3-benzoxazol-7-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090195
5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110417913
1-(3-bromo-4-methylphenyl)-3-(2-methyl-1,3-benzoxazol-7-yl)urea
CID 110356755
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
7-bromo-2-methyl-1,3-benzoxazole-5-carboxylic acid
CID 83901167
5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide?
The IUPAC name of N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide (CID 146094446) is N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide.
What is the SMILES notation for N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide?
The canonical SMILES for N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide is Cc1nc2cc(Br)cc(NC(=O)CCl)c2o1.
What is the InChIKey of N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide?
The InChIKey is QNHTYKTZMLCOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-5-13-7-2-6(11)3-8(10(7)16-5)14-9(15)4-12/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide?
N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide has a molecular weight of 303.54 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide is sourced from PubChem (CID 146094446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).