N-(2-amino-4-bromophenyl)-2-chloroacetamide

C8H8BrClN2O — CID 66911433

IUPACN-(2-amino-4-bromophenyl)-2-chloroacetamide
SMILESNc1cc(Br)ccc1NC(=O)CCl
InChIInChI=1S/C8H8BrClN2O/c9-5-1-2-7(6(11)3-5)12-8(13)4-10/h1-3H,4,11H2,(H,12,13)
InChIKeyZBBRBXSKMWHWSS-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.21
Rot. Bonds2

About N-(2-amino-4-bromophenyl)-2-chloroacetamide

N-(2-amino-4-bromophenyl)-2-chloroacetamide (PubChem CID 66911433) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2-chloroacetamide
PubChem CID66911433
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC NameN-(2-amino-4-bromophenyl)-2-chloroacetamide
SMILESNc1cc(Br)ccc1NC(=O)CCl
InChIInChI=1S/C8H8BrClN2O/c9-5-1-2-7(6(11)3-5)12-8(13)4-10/h1-3H,4,11H2,(H,12,13)
InChIKeyZBBRBXSKMWHWSS-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62552957
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
CID 63832500
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 91689078
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689015
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038
2-(2-amino-4-bromoanilino)acetic acid
CID 62253312

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2-chloroacetamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2-chloroacetamide (CID 66911433) is N-(2-amino-4-bromophenyl)-2-chloroacetamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2-chloroacetamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2-chloroacetamide is Nc1cc(Br)ccc1NC(=O)CCl.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2-chloroacetamide?
The InChIKey is ZBBRBXSKMWHWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-5-1-2-7(6(11)3-5)12-8(13)4-10/h1-3H,4,11H2,(H,12,13).
What are the key properties of N-(2-amino-4-bromophenyl)-2-chloroacetamide?
N-(2-amino-4-bromophenyl)-2-chloroacetamide has a molecular weight of 263.52 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-2-chloroacetamide is sourced from PubChem (CID 66911433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).