4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide

C13H16Cl2N2O2 — CID 103874570

IUPAC4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
SMILESC=CCCOCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-2-3-5-19-6-4-17-13(18)9-7-10(14)12(16)11(15)8-9/h2,7-8H,1,3-6,16H2,(H,17,18)
InChIKeyIXGKNVVVKLVATC-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.90
Rot. Bonds7

About 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide

4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide (PubChem CID 103874570) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
PubChem CID103874570
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
SMILESC=CCCOCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-2-3-5-19-6-4-17-13(18)9-7-10(14)12(16)11(15)8-9/h2,7-8H,1,3-6,16H2,(H,17,18)
InChIKeyIXGKNVVVKLVATC-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.90
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
CID 113339522
N-(2-but-3-enoxyethyl)-3,4-dichloro-5-nitrobenzamide
CID 103857603
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
CID 103855622
N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide
CID 103855719
3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide
CID 106410285
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
2-amino-4-bromo-N-(2-but-3-enoxyethyl)benzamide
CID 102978755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide?
The IUPAC name of 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide (CID 103874570) is 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide.
What is the SMILES notation for 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide?
The canonical SMILES for 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide is C=CCCOCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide?
The InChIKey is IXGKNVVVKLVATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-2-3-5-19-6-4-17-13(18)9-7-10(14)12(16)11(15)8-9/h2,7-8H,1,3-6,16H2,(H,17,18).
What are the key properties of 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide?
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide has a molecular weight of 303.19 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide is sourced from PubChem (CID 103874570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).