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

C16H24ClN3O — CID 61139107

IUPAC4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-8-20-9-6-13(7-10-20)19(2)16(21)14-5-4-12(18)11-15(14)17/h4-5,11,13H,3,6-10,18H2,1-2H3
InChIKeyDLBGYVGZURZXGH-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.87
Rot. Bonds4

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

4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 61139107) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID61139107
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C16H24ClN3O/c1-3-8-20-9-6-13(7-10-20)19(2)16(21)14-5-4-12(18)11-15(14)17/h4-5,11,13H,3,6-10,18H2,1-2H3
InChIKeyDLBGYVGZURZXGH-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

2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139109
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051848
4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
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
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide (CID 61139107) is 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(N(C)C(=O)c2ccc(N)cc2Cl)CC1.
What is the InChIKey of 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is DLBGYVGZURZXGH-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(18)11-15(14)17/h4-5,11,13H,3,6-10,18H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide?
4-amino-2-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 4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61139107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).