4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide

C10H12Cl2N2O2 — CID 82832639

IUPAC4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c1-14(2-3-15)10(16)6-4-7(11)9(13)8(12)5-6/h4-5,15H,2-3,13H2,1H3
InChIKeySPWHNHHUXMKYDI-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.64
Rot. Bonds3

About 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide

4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 82832639) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID82832639
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c1-14(2-3-15)10(16)6-4-7(11)9(13)8(12)5-6/h4-5,15H,2-3,13H2,1H3
InChIKeySPWHNHHUXMKYDI-UHFFFAOYSA-N
XLogP1.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 82833511
4-amino-3,5-dichloro-N-hydroxy-N-methylbenzamide
CID 130956892
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 82812492
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
CID 82832777
3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
CID 60862359
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
2-chloro-5-[2-hydroxyethyl(methyl)carbamoyl]benzenesulfinic acid
CID 118965967

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide (CID 82832639) is 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is SPWHNHHUXMKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-14(2-3-15)10(16)6-4-7(11)9(13)8(12)5-6/h4-5,15H,2-3,13H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide?
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 263.12 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 82832639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).