5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide

C13H18ClN3O — CID 107192335

IUPAC5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C13H18ClN3O/c1-8-2-4-17(5-3-8)12-10(13(16)18)6-9(15)7-11(12)14/h6-8H,2-5,15H2,1H3,(H2,16,18)
InChIKeyIJFKJTCVAQMZTH-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.26
Rot. Bonds2

About 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide

5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 107192335) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID107192335
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C13H18ClN3O/c1-8-2-4-17(5-3-8)12-10(13(16)18)6-9(15)7-11(12)14/h6-8H,2-5,15H2,1H3,(H2,16,18)
InChIKeyIJFKJTCVAQMZTH-UHFFFAOYSA-N
XLogP2.26
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-(3-hydroxypyrrolidin-1-yl)benzamide
CID 107195728
ethyl 5-amino-3-chloro-2-(4-methylazepan-1-yl)benzoate
CID 107195883
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-amino-3-chlorobenzamide
CID 107194274
5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 107195794
5-amino-3-chloro-2-(2-methylpiperidin-1-yl)benzamide
CID 107192408
5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide
CID 107195785
3,5-dichloro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 79686946
5-amino-3-chloro-2-(3-ethyl-4-methylpiperazin-1-yl)benzamide
CID 107195878
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
5-amino-3-chloro-2-(2,2-dimethylmorpholin-4-yl)benzamide
CID 107194238
ethyl 5-amino-3-chloro-2-(4-hydroxypiperidin-1-yl)benzoate
CID 107193389
5-amino-3-chloro-2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 107195975

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide (CID 107192335) is 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide is CC1CCN(c2c(Cl)cc(N)cc2C(N)=O)CC1.
What is the InChIKey of 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is IJFKJTCVAQMZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8-2-4-17(5-3-8)12-10(13(16)18)6-9(15)7-11(12)14/h6-8H,2-5,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide?
5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 267.76 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 107192335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).