5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

C13H18Cl2N2O2 — CID 107185588

IUPAC5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCN(C)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-8(2)19-5-4-17(3)13(18)10-6-9(16)7-11(14)12(10)15/h6-8H,4-5,16H2,1-3H3
InChIKeyXINFOIPTMSYXCR-UHFFFAOYSA-N
MW305.21 g/mol
LogP3.07
Rot. Bonds5

About 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 107185588) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID107185588
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.21 g/mol
Exact Mass304.07
IUPAC Name5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCN(C)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-8(2)19-5-4-17(3)13(18)10-6-9(16)7-11(14)12(10)15/h6-8H,4-5,16H2,1-3H3
InChIKeyXINFOIPTMSYXCR-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-(3-hydroxybutyl)-N-methylbenzamide
CID 107185944
methyl 3-[(5-amino-2,3-dichlorobenzoyl)-methylamino]propanoate
CID 107184847
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709080
5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
CID 107185667
methyl 2-[(5-amino-2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 107184293
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
3-hydroxybutyl 5-amino-2,3-dichlorobenzoate
CID 107199119
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
2-chloro-N-methyl-5-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 103771796
5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 107185300
4-(3-aminoprop-1-ynyl)-2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 81044725

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide (CID 107185588) is 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCN(C)C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is XINFOIPTMSYXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-8(2)19-5-4-17(3)13(18)10-6-9(16)7-11(14)12(10)15/h6-8H,4-5,16H2,1-3H3.
What are the key properties of 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 305.21 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 107185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).