N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane

C21H32ClNO2 — CID 164538113

IUPACN-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane
SMILESCC1CCCC(C(=O)NCC2(O)CCc3c(Cl)cccc32)C1.CCC
InChIInChI=1S/C18H24ClNO2.C3H8/c1-12-4-2-5-13(10-12)17(21)20-11-18(22)9-8-14-15(18)6-3-7-16(14)19;1-3-2/h3,6-7,12-13,22H,2,4-5,8-11H2,1H3,(H,20,21);3H2,1-2H3
InChIKeyROYPZOFWHDBHIE-UHFFFAOYSA-N
MW365.95 g/mol
LogP4.83
Rot. Bonds3

About N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane

N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane (PubChem CID 164538113) has the molecular formula C21H32ClNO2 and a molecular weight of 365.95 g/mol. Its IUPAC name is N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane.

Molecular Properties

Compound NameN-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane
PubChem CID164538113
Molecular FormulaC21H32ClNO2
Molecular Weight365.95 g/mol
Exact Mass365.21
IUPAC NameN-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane
SMILESCC1CCCC(C(=O)NCC2(O)CCc3c(Cl)cccc32)C1.CCC
InChIInChI=1S/C18H24ClNO2.C3H8/c1-12-4-2-5-13(10-12)17(21)20-11-18(22)9-8-14-15(18)6-3-7-16(14)19;1-3-2/h3,6-7,12-13,22H,2,4-5,8-11H2,1H3,(H,20,21);3H2,1-2H3
InChIKeyROYPZOFWHDBHIE-UHFFFAOYSA-N
XLogP4.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane?
The IUPAC name of N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane (CID 164538113) is N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane.
What is the SMILES notation for N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane?
The canonical SMILES for N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane is CC1CCCC(C(=O)NCC2(O)CCc3c(Cl)cccc32)C1.CCC.
What is the InChIKey of N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane?
The InChIKey is ROYPZOFWHDBHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2.C3H8/c1-12-4-2-5-13(10-12)17(21)20-11-18(22)9-8-14-15(18)6-3-7-16(14)19;1-3-2/h3,6-7,12-13,22H,2,4-5,8-11H2,1H3,(H,20,21);3H2,1-2H3.
What are the key properties of N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane?
N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane has a molecular weight of 365.95 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane is sourced from PubChem (CID 164538113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).