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

C14H12Cl2N2O — CID 16773684

IUPACN-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-11(15)12(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVDPOTYHQOOUVSQ-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.14
Rot. Bonds2

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

N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide (PubChem CID 16773684) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
PubChem CID16773684
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC NameN-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-11(15)12(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVDPOTYHQOOUVSQ-UHFFFAOYSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.14
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)-4-bromo-3-chlorobenzamide
CID 81290329
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103807580
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide (CID 16773684) is N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide is Cc1cc(N)ccc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide?
The InChIKey is VDPOTYHQOOUVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-11(15)12(16)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide?
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide has a molecular weight of 295.17 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 16773684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).