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

C14H12Cl2N2O — CID 62499455

IUPACN-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
SMILESNc1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-10-4-5-12(13(16)7-10)14(19)18-8-9-2-1-3-11(17)6-9/h1-7H,8,17H2,(H,18,19)
InChIKeyFSDBBMKYJIXQBZ-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.51
Rot. Bonds3

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

N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide (PubChem CID 62499455) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
PubChem CID62499455
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC NameN-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
SMILESNc1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-10-4-5-12(13(16)7-10)14(19)18-8-9-2-1-3-11(17)6-9/h1-7H,8,17H2,(H,18,19)
InChIKeyFSDBBMKYJIXQBZ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
N-[(3-aminophenyl)methyl]-4-chloro-2,5-difluorobenzamide
CID 82783098
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide (CID 62499455) is N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide is Nc1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide?
The InChIKey is FSDBBMKYJIXQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-10-4-5-12(13(16)7-10)14(19)18-8-9-2-1-3-11(17)6-9/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide?
N-[(3-aminophenyl)methyl]-2,4-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-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 62499455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).