4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride

C17H24Cl2N4O3 — CID 45259913

IUPAC4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C17H23ClN4O3.ClH/c1-22-10-3-4-11(22)6-9(5-10)20-17(24)21-16(23)12-7-13(18)14(19)8-15(12)25-2;/h7-11H,3-6,19H2,1-2H3,(H2,20,21,23,24);1H
InChIKeyKDDVFOHIJDIBAW-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.42
Rot. Bonds3

About 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride (PubChem CID 45259913) has the molecular formula C17H24Cl2N4O3 and a molecular weight of 403.31 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride
PubChem CID45259913
Molecular FormulaC17H24Cl2N4O3
Molecular Weight403.31 g/mol
Exact Mass402.12
IUPAC Name4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C17H23ClN4O3.ClH/c1-22-10-3-4-11(22)6-9(5-10)20-17(24)21-16(23)12-7-13(18)14(19)8-15(12)25-2;/h7-11H,3-6,19H2,1-2H3,(H2,20,21,23,24);1H
InChIKeyKDDVFOHIJDIBAW-UHFFFAOYSA-N
XLogP2.42
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride (CID 45259913) is 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NC(=O)NC1CC2CCC(C1)N2C.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride?
The InChIKey is KDDVFOHIJDIBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3.ClH/c1-22-10-3-4-11(22)6-9(5-10)20-17(24)21-16(23)12-7-13(18)14(19)8-15(12)25-2;/h7-11H,3-6,19H2,1-2H3,(H2,20,21,23,24);1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride has a molecular weight of 403.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride is sourced from PubChem (CID 45259913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).