N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide

C19H25ClN2O2 — CID 46940159

IUPACN-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide
SMILESO=C(CCC1CCCCCC1)Nc1cn(CO)c2cccc(Cl)c12
InChIInChI=1S/C19H25ClN2O2/c20-15-8-5-9-17-19(15)16(12-22(17)13-23)21-18(24)11-10-14-6-3-1-2-4-7-14/h5,8-9,12,14,23H,1-4,6-7,10-11,13H2,(H,21,24)
InChIKeyXMTIJJMTSVLVBM-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.93
Rot. Bonds5

About N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide

N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide (PubChem CID 46940159) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide
PubChem CID46940159
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide
SMILESO=C(CCC1CCCCCC1)Nc1cn(CO)c2cccc(Cl)c12
InChIInChI=1S/C19H25ClN2O2/c20-15-8-5-9-17-19(15)16(12-22(17)13-23)21-18(24)11-10-14-6-3-1-2-4-7-14/h5,8-9,12,14,23H,1-4,6-7,10-11,13H2,(H,21,24)
InChIKeyXMTIJJMTSVLVBM-UHFFFAOYSA-N
XLogP4.93
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide?
The IUPAC name of N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide (CID 46940159) is N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide.
What is the SMILES notation for N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide?
The canonical SMILES for N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide is O=C(CCC1CCCCCC1)Nc1cn(CO)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide?
The InChIKey is XMTIJJMTSVLVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-15-8-5-9-17-19(15)16(12-22(17)13-23)21-18(24)11-10-14-6-3-1-2-4-7-14/h5,8-9,12,14,23H,1-4,6-7,10-11,13H2,(H,21,24).
What are the key properties of N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide?
N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide has a molecular weight of 348.87 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cycloheptylpropanamide is sourced from PubChem (CID 46940159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).