3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide

C14H12Cl2N2O2 — CID 81089771

IUPAC3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-11-5-8(4-10(17)7-11)14(19)18-13-6-9(15)2-3-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyPHAXQSGPYCYQMA-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.84
Rot. Bonds3

About 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide

3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide (PubChem CID 81089771) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
PubChem CID81089771
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-11-5-8(4-10(17)7-11)14(19)18-13-6-9(15)2-3-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyPHAXQSGPYCYQMA-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.84
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

3-amino-N-(5-chloro-2-fluorophenyl)-5-methoxybenzamide
CID 78985100
3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
CID 107526613
3-amino-N-(2,5-difluorophenyl)-5-methoxybenzamide
CID 78985193
3-amino-N-(2-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 107806880
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 78985049
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide (CID 81089771) is 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide?
The InChIKey is PHAXQSGPYCYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-11-5-8(4-10(17)7-11)14(19)18-13-6-9(15)2-3-12(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide?
3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide has a molecular weight of 311.17 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide is sourced from PubChem (CID 81089771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).