5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide

C12H16Cl2N2O2 — CID 107185944

IUPAC5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCC(O)CCN(C)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-7(17)3-4-16(2)12(18)9-5-8(15)6-10(13)11(9)14/h5-7,17H,3-4,15H2,1-2H3
InChIKeyKDBFYXPXIZQGRN-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.42
Rot. Bonds4

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

5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide (PubChem CID 107185944) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide
PubChem CID107185944
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCC(O)CCN(C)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-7(17)3-4-16(2)12(18)9-5-8(15)6-10(13)11(9)14/h5-7,17H,3-4,15H2,1-2H3
InChIKeyKDBFYXPXIZQGRN-UHFFFAOYSA-N
XLogP2.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.42
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

5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 107185588
methyl 3-[(5-amino-2,3-dichlorobenzoyl)-methylamino]propanoate
CID 107184847
3-hydroxybutyl 5-amino-2,3-dichlorobenzoate
CID 107199119
5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
CID 107185667
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
methyl 2-[(5-amino-2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 107184293
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide
CID 110007455
5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 107185486
N-(3-hydroxybutyl)-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111695963
5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 107185300

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide (CID 107185944) is 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide is CC(O)CCN(C)C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide?
The InChIKey is KDBFYXPXIZQGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-7(17)3-4-16(2)12(18)9-5-8(15)6-10(13)11(9)14/h5-7,17H,3-4,15H2,1-2H3.
What are the key properties of 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide?
5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide has a molecular weight of 291.18 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(3-hydroxybutyl)-N-methylbenzamide is sourced from PubChem (CID 107185944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).