3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide

C15H12ClN3O2 — CID 107806880

IUPAC3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C15H12ClN3O2/c1-21-12-6-10(5-11(18)7-12)15(20)19-14-3-2-9(8-17)4-13(14)16/h2-7H,18H2,1H3,(H,19,20)
InChIKeyIGBNWIMAGUINSR-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.05
Rot. Bonds3

About 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide

3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide (PubChem CID 107806880) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
PubChem CID107806880
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C15H12ClN3O2/c1-21-12-6-10(5-11(18)7-12)15(20)19-14-3-2-9(8-17)4-13(14)16/h2-7H,18H2,1H3,(H,19,20)
InChIKeyIGBNWIMAGUINSR-UHFFFAOYSA-N
XLogP3.05
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
CID 78985323
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 81089771
3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
CID 107526613
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
3-amino-N-(5-chloro-2-fluorophenyl)-5-methoxybenzamide
CID 78985100
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811009
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide (CID 107806880) is 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)Nc2ccc(C#N)cc2Cl)c1.
What is the InChIKey of 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide?
The InChIKey is IGBNWIMAGUINSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-12-6-10(5-11(18)7-12)15(20)19-14-3-2-9(8-17)4-13(14)16/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide?
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide has a molecular weight of 301.73 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide is sourced from PubChem (CID 107806880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).