N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide

C14H11Cl3N2O — CID 104667459

IUPACN-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c1-7-4-12(18)11(17)6-13(7)19-14(20)8-2-3-9(15)10(16)5-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNDKCLYJVESJRNJ-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.79
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide

N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide (PubChem CID 104667459) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
PubChem CID104667459
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c1-7-4-12(18)11(17)6-13(7)19-14(20)8-2-3-9(15)10(16)5-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyNDKCLYJVESJRNJ-UHFFFAOYSA-N
XLogP4.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(4-amino-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide (CID 104667459) is N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide is Cc1cc(N)c(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide?
The InChIKey is NDKCLYJVESJRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-7-4-12(18)11(17)6-13(7)19-14(20)8-2-3-9(15)10(16)5-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide?
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide has a molecular weight of 329.61 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 104667459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).