2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide

C19H20Br2N2O2 — CID 153321957

IUPAC2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
SMILESCC(C)(c1ccc(NC(=O)CBr)cc1)c1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C19H20Br2N2O2/c1-19(2,13-3-7-15(8-4-13)22-17(24)11-20)14-5-9-16(10-6-14)23-18(25)12-21/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGCWWLZVMQMRGFQ-UHFFFAOYSA-N
MW468.19 g/mol
LogP4.68
Rot. Bonds6

About 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide

2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide (PubChem CID 153321957) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
PubChem CID153321957
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC Name2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
SMILESCC(C)(c1ccc(NC(=O)CBr)cc1)c1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C19H20Br2N2O2/c1-19(2,13-3-7-15(8-4-13)22-17(24)11-20)14-5-9-16(10-6-14)23-18(25)12-21/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGCWWLZVMQMRGFQ-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.19
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
methyl 4-[(2-bromoacetyl)amino]benzoate
CID 3416406
2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 63679707
2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
CID 146415877
[1-[4-[(2-bromoacetyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
CID 151464602
2-bromo-N-(4-ethynylphenyl)acetamide
CID 147225223
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide
CID 138710547

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide (CID 153321957) is 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide is CC(C)(c1ccc(NC(=O)CBr)cc1)c1ccc(NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide?
The InChIKey is GCWWLZVMQMRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c1-19(2,13-3-7-15(8-4-13)22-17(24)11-20)14-5-9-16(10-6-14)23-18(25)12-21/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide?
2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide has a molecular weight of 468.19 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide is sourced from PubChem (CID 153321957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).