2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide

C14H20ClN3O — CID 115540437

IUPAC2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
SMILESCCN1CCC(NC(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-18-8-6-10(7-9-18)17-14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9,16H2,1H3,(H,17,19)
InChIKeyQEVSQMAPPXMFAB-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide

2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide (PubChem CID 115540437) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
PubChem CID115540437
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
SMILESCCN1CCC(NC(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-18-8-6-10(7-9-18)17-14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9,16H2,1H3,(H,17,19)
InChIKeyQEVSQMAPPXMFAB-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

2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide
CID 114038451
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965097
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
2-chloro-N-(1-ethylpiperidin-4-yl)-5-nitrobenzamide
CID 61053666
1-(2-chlorophenyl)-3-(1-ethylpiperidin-4-yl)thiourea
CID 17282493
2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 115540774
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide (CID 115540437) is 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide is CCN1CCC(NC(=O)c2cccc(Cl)c2N)CC1.
What is the InChIKey of 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide?
The InChIKey is QEVSQMAPPXMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-18-8-6-10(7-9-18)17-14(19)11-4-3-5-12(15)13(11)16/h3-5,10H,2,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide?
2-amino-3-chloro-N-(1-ethylpiperidin-4-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 2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 115540437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).