N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane

C18H25ClN2O2 — CID 171517860

IUPACN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane
SMILESCC.COCC1(C(=O)NCc2cc3cc(Cl)c(C)cc3[nH]2)CC1
InChIInChI=1S/C16H19ClN2O2.C2H6/c1-10-5-14-11(7-13(10)17)6-12(19-14)8-18-15(20)16(3-4-16)9-21-2;1-2/h5-7,19H,3-4,8-9H2,1-2H3,(H,18,20);1-2H3
InChIKeyGTOMYNGYUZOVFF-UHFFFAOYSA-N
MW336.86 g/mol
LogP4.20
Rot. Bonds5

About N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane

N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane (PubChem CID 171517860) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound NameN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane
PubChem CID171517860
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane
SMILESCC.COCC1(C(=O)NCc2cc3cc(Cl)c(C)cc3[nH]2)CC1
InChIInChI=1S/C16H19ClN2O2.C2H6/c1-10-5-14-11(7-13(10)17)6-12(19-14)8-18-15(20)16(3-4-16)9-21-2;1-2/h5-7,19H,3-4,8-9H2,1-2H3,(H,18,20);1-2H3
InChIKeyGTOMYNGYUZOVFF-UHFFFAOYSA-N
XLogP4.20
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane with MolForge

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Related Compounds

methyl [(5-chloro-1H-indol-2-yl)methyl]carbamate
CID 1245948
N-[3-(6-chloro-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propyl]butanamide
CID 171854957
N-[2-(5-chloro-2-phenyl-1H-indol-3-yl)ethyl]acetamide
CID 4715062
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-cyclopropylacetamide
CID 46098197
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide
CID 71826741
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 71826787
N~1~-[(5-chloro-1H-indol-2-yl)methyl]-D-alaninamide
CID 91760502
N-[2-(6-chloro-9H-carbazol-2-yl)-2-fluoroethyl]propanamide
CID 140562117
N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide
CID 171517850
1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea
CID 171518313
N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171518398
N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171518646

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane?
The IUPAC name of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane (CID 171517860) is N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane.
What is the SMILES notation for N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane?
The canonical SMILES for N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane is CC.COCC1(C(=O)NCc2cc3cc(Cl)c(C)cc3[nH]2)CC1.
What is the InChIKey of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane?
The InChIKey is GTOMYNGYUZOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2.C2H6/c1-10-5-14-11(7-13(10)17)6-12(19-14)8-18-15(20)16(3-4-16)9-21-2;1-2/h5-7,19H,3-4,8-9H2,1-2H3,(H,18,20);1-2H3.
What are the key properties of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane?
N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane has a molecular weight of 336.86 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 171517860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).