N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide

C15H15ClN2O3 — CID 28546769

IUPACN-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-20-12-4-3-5-13(21-2)14(12)15(19)18-11-7-6-9(17)8-10(11)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyKMQOYRYHOGJKIQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.19
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide

N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide (PubChem CID 28546769) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide
PubChem CID28546769
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-20-12-4-3-5-13(21-2)14(12)15(19)18-11-7-6-9(17)8-10(11)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyKMQOYRYHOGJKIQ-UHFFFAOYSA-N
XLogP3.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.19
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-chloro-4-[(2,6-dimethoxybenzoyl)amino]benzenesulfonic acid
CID 139945414
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
N-(2-chlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 84579322
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide (CID 28546769) is N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide?
The InChIKey is KMQOYRYHOGJKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-12-4-3-5-13(21-2)14(12)15(19)18-11-7-6-9(17)8-10(11)16/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide?
N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide has a molecular weight of 306.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 28546769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).