N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide

C19H26ClN3O — CID 134490399

IUPACN-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide
SMILESCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(N)c(NC(=O)CCl)cc13
InChIInChI=1S/C19H26ClN3O/c1-23-7-6-19-5-3-2-4-13(19)17(23)9-12-8-15(21)16(10-14(12)19)22-18(24)11-20/h8,10,13,17H,2-7,9,11,21H2,1H3,(H,22,24)/t13-,17+,19?/m0/s1
InChIKeyBUOIWMJBUYPCAR-JQKBXSLYSA-N
MW347.89 g/mol
LogP3.13
Rot. Bonds2

About N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide

N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide (PubChem CID 134490399) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide
PubChem CID134490399
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC NameN-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide
SMILESCN1CCC23CCCC[C@H]2[C@H]1Cc1cc(N)c(NC(=O)CCl)cc13
InChIInChI=1S/C19H26ClN3O/c1-23-7-6-19-5-3-2-4-13(19)17(23)9-12-8-15(21)16(10-14(12)19)22-18(24)11-20/h8,10,13,17H,2-7,9,11,21H2,1H3,(H,22,24)/t13-,17+,19?/m0/s1
InChIKeyBUOIWMJBUYPCAR-JQKBXSLYSA-N
XLogP3.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide?
The IUPAC name of N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide (CID 134490399) is N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide.
What is the SMILES notation for N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide?
The canonical SMILES for N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide is CN1CCC23CCCC[C@H]2[C@H]1Cc1cc(N)c(NC(=O)CCl)cc13.
What is the InChIKey of N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide?
The InChIKey is BUOIWMJBUYPCAR-JQKBXSLYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-23-7-6-19-5-3-2-4-13(19)17(23)9-12-8-15(21)16(10-14(12)19)22-18(24)11-20/h8,10,13,17H,2-7,9,11,21H2,1H3,(H,22,24)/t13-,17+,19?/m0/s1.
What are the key properties of N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide?
N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide has a molecular weight of 347.89 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9R,10R)-5-amino-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-yl]-2-chloroacetamide is sourced from PubChem (CID 134490399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).