5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide

C14H20ClN3O — CID 61170350

IUPAC5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
SMILESCCN1CCCC(NC(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-2-18-7-3-4-11(9-18)17-14(19)12-8-10(16)5-6-13(12)15/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19)
InChIKeyNVISTZRYWPNJKI-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.14
Rot. Bonds3

About 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide

5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide (PubChem CID 61170350) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
PubChem CID61170350
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
SMILESCCN1CCCC(NC(=O)c2cc(N)ccc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-2-18-7-3-4-11(9-18)17-14(19)12-8-10(16)5-6-13(12)15/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19)
InChIKeyNVISTZRYWPNJKI-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296207
2-amino-6-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 55244136
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
CID 113240326
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide (CID 61170350) is 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide is CCN1CCCC(NC(=O)c2cc(N)ccc2Cl)C1.
What is the InChIKey of 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide?
The InChIKey is NVISTZRYWPNJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-18-7-3-4-11(9-18)17-14(19)12-8-10(16)5-6-13(12)15/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide?
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide has a molecular weight of 281.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide is sourced from PubChem (CID 61170350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).