5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

C15H14Cl2N2O2 — CID 107229457

IUPAC5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-13-6-11(18)5-12(14(13)17)15(21)19-7-9-1-3-10(8-20)4-2-9/h1-6,20H,7-8,18H2,(H,19,21)
InChIKeyGAOUAKLZJPIIAL-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.00
Rot. Bonds4

About 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 107229457) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID107229457
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-13-6-11(18)5-12(14(13)17)15(21)19-7-9-1-3-10(8-20)4-2-9/h1-6,20H,7-8,18H2,(H,19,21)
InChIKeyGAOUAKLZJPIIAL-UHFFFAOYSA-N
XLogP3.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 107185778
5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
CID 107185130
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
CID 107232664
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (CID 107229457) is 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCc2ccc(CO)cc2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is GAOUAKLZJPIIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-13-6-11(18)5-12(14(13)17)15(21)19-7-9-1-3-10(8-20)4-2-9/h1-6,20H,7-8,18H2,(H,19,21).
What are the key properties of 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 325.20 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107229457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).