N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide

C14H12Cl2N2O2 — CID 16777237

IUPACN-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(N)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-9-3-5-13(12(17)7-9)18-14(19)8-2-4-10(15)11(16)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUGVDBSCCZGOZCM-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.84
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide

N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide (PubChem CID 16777237) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
PubChem CID16777237
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC NameN-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(N)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-9-3-5-13(12(17)7-9)18-14(19)8-2-4-10(15)11(16)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUGVDBSCCZGOZCM-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

N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107997479
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294
4-amino-3,5-dichloro-N-(2-hydroxy-4-methoxyphenyl)benzamide
CID 102695314
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
CID 91687665
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199378

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide (CID 16777237) is N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide is COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide?
The InChIKey is UGVDBSCCZGOZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-9-3-5-13(12(17)7-9)18-14(19)8-2-4-10(15)11(16)6-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide?
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide 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 N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 16777237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).