N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide

C14H12Cl2N2O — CID 60893162

IUPACN-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
SMILESNc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O/c15-12-3-1-2-11(13(12)16)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8,17H2,(H,18,19)
InChIKeyPDAQFNGMZPYIHA-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.51
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide

N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide (PubChem CID 60893162) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
PubChem CID60893162
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC NameN-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
SMILESNc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O/c15-12-3-1-2-11(13(12)16)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8,17H2,(H,18,19)
InChIKeyPDAQFNGMZPYIHA-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
2,3-dichloro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748427
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
N-[(2-benzylphenyl)methyl]-2,3-dichlorobenzamide
CID 23019985

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide (CID 60893162) is N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide is Nc1ccc(CNC(=O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide?
The InChIKey is PDAQFNGMZPYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-12-3-1-2-11(13(12)16)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide?
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide has a molecular weight of 295.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide is sourced from PubChem (CID 60893162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).