N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide

C16H14BrN3O — CID 60919142

IUPACN-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
SMILESN#Cc1cccc(CNCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H14BrN3O/c17-14-4-6-15(7-5-14)20-16(21)11-19-10-13-3-1-2-12(8-13)9-18/h1-8,19H,10-11H2,(H,20,21)
InChIKeyQMOPVAXCSIPZHQ-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.05
Rot. Bonds5

About N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide

N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide (PubChem CID 60919142) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
PubChem CID60919142
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
SMILESN#Cc1cccc(CNCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H14BrN3O/c17-14-4-6-15(7-5-14)20-16(21)11-19-10-13-3-1-2-12(8-13)9-18/h1-8,19H,10-11H2,(H,20,21)
InChIKeyQMOPVAXCSIPZHQ-UHFFFAOYSA-N
XLogP3.05
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
CID 60917548
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 60902471
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859
2-[(3-cyanophenyl)methylamino]-N-methylacetamide
CID 43214956
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
(3-cyanophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588703
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide (CID 60919142) is N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide is N#Cc1cccc(CNCC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide?
The InChIKey is QMOPVAXCSIPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-14-4-6-15(7-5-14)20-16(21)11-19-10-13-3-1-2-12(8-13)9-18/h1-8,19H,10-11H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide?
N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide is sourced from PubChem (CID 60919142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).