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

C14H12Cl2N2O2 — CID 107185778

IUPAC5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)Nc2ccc(CO)cc2)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-6-9(17)5-11(13(12)16)14(20)18-10-3-1-8(7-19)2-4-10/h1-6,19H,7,17H2,(H,18,20)
InChIKeyXIOMZLGEMSZKOY-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.32
Rot. Bonds3

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

5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide (PubChem CID 107185778) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide
PubChem CID107185778
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)Nc2ccc(CO)cc2)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-6-9(17)5-11(13(12)16)14(20)18-10-3-1-8(7-19)2-4-10/h1-6,19H,7,17H2,(H,18,20)
InChIKeyXIOMZLGEMSZKOY-UHFFFAOYSA-N
XLogP3.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354
5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107185676
5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
CID 107185377
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
5-amino-2,3-dichloro-N-(3-methoxyphenyl)benzamide
CID 107183164
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
5-amino-2,3-dichloro-N-(2-chloro-5-methylphenyl)benzamide
CID 107624082
5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
CID 107183626
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680
5-amino-2,3-dichloro-N-(2-ethoxyphenyl)benzamide
CID 107183316

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide (CID 107185778) is 5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide is Nc1cc(Cl)c(Cl)c(C(=O)Nc2ccc(CO)cc2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide?
The InChIKey is XIOMZLGEMSZKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-6-9(17)5-11(13(12)16)14(20)18-10-3-1-8(7-19)2-4-10/h1-6,19H,7,17H2,(H,18,20).
What are the key properties of 5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide?
5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide has a molecular weight of 311.17 g/mol, XLogP of 3.32, 3 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]benzamide is sourced from PubChem (CID 107185778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).