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

C12H16Cl2N2O2 — CID 104600972

IUPAC4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-7(2)18-4-3-16-12(17)8-5-9(13)11(15)10(14)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyKQTMFJITONAJDI-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.73
Rot. Bonds5

About 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide

4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 104600972) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID104600972
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2/c1-7(2)18-4-3-16-12(17)8-5-9(13)11(15)10(14)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyKQTMFJITONAJDI-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
2-amino-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765569
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 104578530
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide (CID 104600972) is 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is KQTMFJITONAJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-7(2)18-4-3-16-12(17)8-5-9(13)11(15)10(14)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide?
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 291.18 g/mol, XLogP of 2.73, 5 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-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 104600972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).