3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide

C13H17ClN2O2 — CID 106391815

IUPAC3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
SMILESC=CCCOCCNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C13H17ClN2O2/c1-2-3-8-18-9-7-16-13(17)10-5-4-6-11(15)12(10)14/h2,4-6H,1,3,7-9,15H2,(H,16,17)
InChIKeyLNSCIXZAUDQAOV-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.24
Rot. Bonds7

About 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide

3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide (PubChem CID 106391815) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
PubChem CID106391815
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
SMILESC=CCCOCCNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C13H17ClN2O2/c1-2-3-8-18-9-7-16-13(17)10-5-4-6-11(15)12(10)14/h2,4-6H,1,3,7-9,15H2,(H,16,17)
InChIKeyLNSCIXZAUDQAOV-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.24
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

5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
2-amino-4-bromo-N-(2-but-3-enoxyethyl)benzamide
CID 102978755
2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
CID 103950989
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
4-amino-N-(2-but-3-enoxyethyl)-3,5-dichlorobenzamide
CID 103874570
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 112575924
N-(2-but-3-enoxyethyl)-1-chloroisoquinoline-4-carboxamide
CID 106832077
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
CID 106391867
5-bromo-N-(2-but-3-enoxyethyl)-2-methylbenzamide
CID 103855682

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide?
The IUPAC name of 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide (CID 106391815) is 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide?
The canonical SMILES for 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide is C=CCCOCCNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide?
The InChIKey is LNSCIXZAUDQAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-3-8-18-9-7-16-13(17)10-5-4-6-11(15)12(10)14/h2,4-6H,1,3,7-9,15H2,(H,16,17).
What are the key properties of 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide?
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide has a molecular weight of 268.74 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide is sourced from PubChem (CID 106391815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).