3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide

C14H19ClN2O2 — CID 112575924

IUPAC3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
SMILESNc1cccc(C(=O)NCCOC2CCCC2)c1Cl
InChIInChI=1S/C14H19ClN2O2/c15-13-11(6-3-7-12(13)16)14(18)17-8-9-19-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,16H2,(H,17,18)
InChIKeyJVOSDSZWSVXNCN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide

3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide (PubChem CID 112575924) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
PubChem CID112575924
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
SMILESNc1cccc(C(=O)NCCOC2CCCC2)c1Cl
InChIInChI=1S/C14H19ClN2O2/c15-13-11(6-3-7-12(13)16)14(18)17-8-9-19-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,16H2,(H,17,18)
InChIKeyJVOSDSZWSVXNCN-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.61
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-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 112575789
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide (CID 112575924) is 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide is Nc1cccc(C(=O)NCCOC2CCCC2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide?
The InChIKey is JVOSDSZWSVXNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-11(6-3-7-12(13)16)14(18)17-8-9-19-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9,16H2,(H,17,18).
What are the key properties of 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide?
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide is sourced from PubChem (CID 112575924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).