N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide

C16H17ClN4O2 — CID 97346911

IUPACN-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide
SMILESNC(=O)Cn1cc2c(n1)[C@H](NC(=O)c1ccc(Cl)cc1)CCC2
InChIInChI=1S/C16H17ClN4O2/c17-12-6-4-10(5-7-12)16(23)19-13-3-1-2-11-8-21(9-14(18)22)20-15(11)13/h4-8,13H,1-3,9H2,(H2,18,22)(H,19,23)/t13-/m1/s1
InChIKeyVGWSOGJFSRCZII-CYBMUJFWSA-N
MW332.79 g/mol
LogP1.83
Rot. Bonds4

About N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide

N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide (PubChem CID 97346911) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide
PubChem CID97346911
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide
SMILESNC(=O)Cn1cc2c(n1)[C@H](NC(=O)c1ccc(Cl)cc1)CCC2
InChIInChI=1S/C16H17ClN4O2/c17-12-6-4-10(5-7-12)16(23)19-13-3-1-2-11-8-21(9-14(18)22)20-15(11)13/h4-8,13H,1-3,9H2,(H2,18,22)(H,19,23)/t13-/m1/s1
InChIKeyVGWSOGJFSRCZII-CYBMUJFWSA-N
XLogP1.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide with MolForge

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Related Compounds

N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide
CID 97346880
N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-2-cyclohexylacetamide
CID 97346909
2-[7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 75475543
2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346708
2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide
CID 97346977
2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346730
2-[(7R)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346729
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
ethyl 2-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetate
CID 97299942
N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 75475527
N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide
CID 75475685
N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 75475662

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide?
The IUPAC name of N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide (CID 97346911) is N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide?
The canonical SMILES for N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide is NC(=O)Cn1cc2c(n1)[C@H](NC(=O)c1ccc(Cl)cc1)CCC2.
What is the InChIKey of N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide?
The InChIKey is VGWSOGJFSRCZII-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-6-4-10(5-7-12)16(23)19-13-3-1-2-11-8-21(9-14(18)22)20-15(11)13/h4-8,13H,1-3,9H2,(H2,18,22)(H,19,23)/t13-/m1/s1.
What are the key properties of N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide?
N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide has a molecular weight of 332.79 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-4-chlorobenzamide is sourced from PubChem (CID 97346911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).