N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide

C15H20ClN3O — CID 71207350

IUPACN-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide
SMILESN[C@@H]1CCCC[C@@H]1NC(=O)C1=CC2C=C(Cl)C=CC2N1
InChIInChI=1S/C15H20ClN3O/c16-10-5-6-12-9(7-10)8-14(18-12)15(20)19-13-4-2-1-3-11(13)17/h5-9,11-13,18H,1-4,17H2,(H,19,20)/t9?,11-,12?,13+/m1/s1
InChIKeyIQMHGHKAVMSOOT-SHUSYIHASA-N
MW293.80 g/mol
LogP1.54
Rot. Bonds2

About N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide

N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide (PubChem CID 71207350) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide
PubChem CID71207350
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide
SMILESN[C@@H]1CCCC[C@@H]1NC(=O)C1=CC2C=C(Cl)C=CC2N1
InChIInChI=1S/C15H20ClN3O/c16-10-5-6-12-9(7-10)8-14(18-12)15(20)19-13-4-2-1-3-11(13)17/h5-9,11-13,18H,1-4,17H2,(H,19,20)/t9?,11-,12?,13+/m1/s1
InChIKeyIQMHGHKAVMSOOT-SHUSYIHASA-N
XLogP1.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide 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-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide (CID 71207350) is N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide is N[C@@H]1CCCC[C@@H]1NC(=O)C1=CC2C=C(Cl)C=CC2N1.
What is the InChIKey of N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide?
The InChIKey is IQMHGHKAVMSOOT-SHUSYIHASA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-10-5-6-12-9(7-10)8-14(18-12)15(20)19-13-4-2-1-3-11(13)17/h5-9,11-13,18H,1-4,17H2,(H,19,20)/t9?,11-,12?,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide?
N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide has a molecular weight of 293.80 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-aminocyclohexyl]-5-chloro-3a,7a-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 71207350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).