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

C16H14BrN3O — CID 60918337

IUPACN-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
SMILESN#Cc1ccc(CNCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrN3O/c17-14-5-7-15(8-6-14)20-16(21)11-19-10-13-3-1-12(9-18)2-4-13/h1-8,19H,10-11H2,(H,20,21)
InChIKeySRNJTGDMAZZOSD-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.05
Rot. Bonds5

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

N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide (PubChem CID 60918337) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
PubChem CID60918337
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
SMILESN#Cc1ccc(CNCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrN3O/c17-14-5-7-15(8-6-14)20-16(21)11-19-10-13-3-1-12(9-18)2-4-13/h1-8,19H,10-11H2,(H,20,21)
InChIKeySRNJTGDMAZZOSD-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

N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
CID 60919142
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide
CID 60918679
N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide
CID 54936182
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-bromophenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 16598170
N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 60902471
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140419
2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
CID 60917548
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide (CID 60918337) is N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide is N#Cc1ccc(CNCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide?
The InChIKey is SRNJTGDMAZZOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-14-5-7-15(8-6-14)20-16(21)11-19-10-13-3-1-12(9-18)2-4-13/h1-8,19H,10-11H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide?
N-(4-bromophenyl)-2-[(4-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-[(4-cyanophenyl)methylamino]acetamide is sourced from PubChem (CID 60918337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).