5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide

C14H19Cl2N3O — CID 107184833

IUPAC5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C14H19Cl2N3O/c15-12-9-10(17)8-11(13(12)16)14(20)18-4-7-19-5-2-1-3-6-19/h8-9H,1-7,17H2,(H,18,20)
InChIKeyKDQBBHSCDZNNIC-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.79
Rot. Bonds4

About 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide

5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 107184833) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID107184833
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C14H19Cl2N3O/c15-12-9-10(17)8-11(13(12)16)14(20)18-4-7-19-5-2-1-3-6-19/h8-9H,1-7,17H2,(H,18,20)
InChIKeyKDQBBHSCDZNNIC-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.79
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

5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151
5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 107183912
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide (CID 107184833) is 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is KDQBBHSCDZNNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c15-12-9-10(17)8-11(13(12)16)14(20)18-4-7-19-5-2-1-3-6-19/h8-9H,1-7,17H2,(H,18,20).
What are the key properties of 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide?
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 316.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 107184833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).