3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide

C12H16Cl2N2O — CID 61092538

IUPAC3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)3-4-16-12(17)8-5-9(13)11(14)10(15)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyFNUOEWRSCJGMDC-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.35
Rot. Bonds4

About 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide

3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide (PubChem CID 61092538) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
PubChem CID61092538
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)3-4-16-12(17)8-5-9(13)11(14)10(15)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyFNUOEWRSCJGMDC-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227
3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
CID 61140669
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
3-amino-4,5-dichloro-N-hex-5-ynylbenzamide
CID 106208113
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62845335
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843419
3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514817
3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61139466
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238860

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide (CID 61092538) is 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide?
The InChIKey is FNUOEWRSCJGMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(2)3-4-16-12(17)8-5-9(13)11(14)10(15)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide?
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide has a molecular weight of 275.18 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 61092538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).