2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide

C16H24ClN3O — CID 61138918

IUPAC2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(Cl)cc2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-8-20-9-6-13(7-10-20)19(2)16(21)14-5-4-12(17)11-15(14)18/h4-5,11,13H,3,6-10,18H2,1-2H3
InChIKeyLQVGJHCHAZSFCS-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.87
Rot. Bonds4

About 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide

2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 61138918) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID61138918
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(Cl)cc2N)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-8-20-9-6-13(7-10-20)19(2)16(21)14-5-4-12(17)11-15(14)18/h4-5,11,13H,3,6-10,18H2,1-2H3
InChIKeyLQVGJHCHAZSFCS-UHFFFAOYSA-N
XLogP2.87
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139109
2-(2,5-dichlorophenyl)sulfanyl-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
CID 60558573
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051848
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236
2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (CID 61138918) is 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(N(C)C(=O)c2ccc(Cl)cc2N)CC1.
What is the InChIKey of 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is LQVGJHCHAZSFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-8-20-9-6-13(7-10-20)19(2)16(21)14-5-4-12(17)11-15(14)18/h4-5,11,13H,3,6-10,18H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 309.84 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61138918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).