N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide

C16H19ClN2O — CID 113085126

IUPACN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C16H19ClN2O/c1-10(2)15(20)19-9-16(5-6-16)13-8-18-14-4-3-11(17)7-12(13)14/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyCMTDDBHZLZNIQQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.63
Rot. Bonds4

About N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide (PubChem CID 113085126) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
PubChem CID113085126
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C16H19ClN2O/c1-10(2)15(20)19-9-16(5-6-16)13-8-18-14-4-3-11(17)7-12(13)14/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyCMTDDBHZLZNIQQ-UHFFFAOYSA-N
XLogP3.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
CID 113085133
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]furan-2-carboxamide
CID 113085134
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085166
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085158
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide
CID 113085424
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085207
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113085465
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 113085193
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113085205
5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
CID 139229716

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide (CID 113085126) is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide?
The InChIKey is CMTDDBHZLZNIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10(2)15(20)19-9-16(5-6-16)13-8-18-14-4-3-11(17)7-12(13)14/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide?
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide has a molecular weight of 290.79 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 113085126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).