N-(4-amino-2-cyanophenyl)-4-bromobenzamide

C14H10BrN3O — CID 43549008

IUPACN-(4-amino-2-cyanophenyl)-4-bromobenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(17)7-10(13)8-16/h1-7H,17H2,(H,18,19)
InChIKeyDUBJYJKBZWTZHM-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.16
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-4-bromobenzamide

N-(4-amino-2-cyanophenyl)-4-bromobenzamide (PubChem CID 43549008) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-4-bromobenzamide
PubChem CID43549008
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-(4-amino-2-cyanophenyl)-4-bromobenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(17)7-10(13)8-16/h1-7H,17H2,(H,18,19)
InChIKeyDUBJYJKBZWTZHM-UHFFFAOYSA-N
XLogP3.16
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159
(4-bromo-2-cyanophenyl)urea
CID 82708837
N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
CID 114818637
N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-4-bromobenzamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-4-bromobenzamide (CID 43549008) is N-(4-amino-2-cyanophenyl)-4-bromobenzamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-4-bromobenzamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-4-bromobenzamide is N#Cc1cc(N)ccc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-4-bromobenzamide?
The InChIKey is DUBJYJKBZWTZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(17)7-10(13)8-16/h1-7H,17H2,(H,18,19).
What are the key properties of N-(4-amino-2-cyanophenyl)-4-bromobenzamide?
N-(4-amino-2-cyanophenyl)-4-bromobenzamide has a molecular weight of 316.16 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-4-bromobenzamide is sourced from PubChem (CID 43549008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).