N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide

C16H15BrN2O2 — CID 46736705

IUPACN-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
SMILESO=C(CBr)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H15BrN2O2/c17-11-16(21)19-14-8-4-7-13(10-14)18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21)
InChIKeyZBMCDPLWNYWGJQ-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.20
Rot. Bonds5

About N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide

N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide (PubChem CID 46736705) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
PubChem CID46736705
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
SMILESO=C(CBr)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H15BrN2O2/c17-11-16(21)19-14-8-4-7-13(10-14)18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21)
InChIKeyZBMCDPLWNYWGJQ-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.20
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

N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
CID 17235513
4-hydroxy-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 161300490
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
2-bromo-N-phenylacetamide;cyclopropane
CID 174384645
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 160938577
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide (CID 46736705) is N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide is O=C(CBr)Nc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide?
The InChIKey is ZBMCDPLWNYWGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-11-16(21)19-14-8-4-7-13(10-14)18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide?
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide has a molecular weight of 347.21 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 46736705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).