N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide

C23H22ClN7O2 — CID 67552397

IUPACN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-c1nn[nH]n1)c1cc2cccc(NC(=O)C3CCCCC3)c2[nH]1
InChIInChI=1S/C23H22ClN7O2/c24-15-9-10-17(16(12-15)21-28-30-31-29-21)26-23(33)19-11-14-7-4-8-18(20(14)25-19)27-22(32)13-5-2-1-3-6-13/h4,7-13,25H,1-3,5-6H2,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKeyRTVVTYHNGLHZJO-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.77
Rot. Bonds5

About N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide

N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide (PubChem CID 67552397) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide
PubChem CID67552397
Molecular FormulaC23H22ClN7O2
Molecular Weight463.93 g/mol
Exact Mass463.15
IUPAC NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-c1nn[nH]n1)c1cc2cccc(NC(=O)C3CCCCC3)c2[nH]1
InChIInChI=1S/C23H22ClN7O2/c24-15-9-10-17(16(12-15)21-28-30-31-29-21)26-23(33)19-11-14-7-4-8-18(20(14)25-19)27-22(32)13-5-2-1-3-6-13/h4,7-13,25H,1-3,5-6H2,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKeyRTVVTYHNGLHZJO-UHFFFAOYSA-N
XLogP4.77
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide (CID 67552397) is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide is O=C(Nc1ccc(Cl)cc1-c1nn[nH]n1)c1cc2cccc(NC(=O)C3CCCCC3)c2[nH]1.
What is the InChIKey of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide?
The InChIKey is RTVVTYHNGLHZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c24-15-9-10-17(16(12-15)21-28-30-31-29-21)26-23(33)19-11-14-7-4-8-18(20(14)25-19)27-22(32)13-5-2-1-3-6-13/h4,7-13,25H,1-3,5-6H2,(H,26,33)(H,27,32)(H,28,29,30,31).
What are the key properties of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide?
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 4.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 67552397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).