4-amino-3,5-dichloro-N-pentylbenzamide

C12H16Cl2N2O — CID 82786165

IUPAC4-amino-3,5-dichloro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-2-3-4-5-16-12(17)8-6-9(13)11(15)10(14)7-8/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyLWAMBFIYJULYOT-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.50
Rot. Bonds5

About 4-amino-3,5-dichloro-N-pentylbenzamide

4-amino-3,5-dichloro-N-pentylbenzamide (PubChem CID 82786165) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-pentylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-pentylbenzamide
PubChem CID82786165
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-amino-3,5-dichloro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-2-3-4-5-16-12(17)8-6-9(13)11(15)10(14)7-8/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyLWAMBFIYJULYOT-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
3,5-diamino-N-hexadecylbenzamide
CID 54469516
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
4,5-dichloro-N-pentylthiophene-2-carboxamide
CID 110190675
3,4-diamino-N-dodecylbenzamide
CID 22411166
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
CID 82832483
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-pentylbenzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-pentylbenzamide (CID 82786165) is 4-amino-3,5-dichloro-N-pentylbenzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-pentylbenzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-pentylbenzamide is CCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-pentylbenzamide?
The InChIKey is LWAMBFIYJULYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-3-4-5-16-12(17)8-6-9(13)11(15)10(14)7-8/h6-7H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3,5-dichloro-N-pentylbenzamide?
4-amino-3,5-dichloro-N-pentylbenzamide has a molecular weight of 275.18 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-pentylbenzamide is sourced from PubChem (CID 82786165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).