N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide

C17H21ClN2O — CID 113085424

IUPACN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C17H21ClN2O/c1-16(2,3)15(21)20-10-17(6-7-17)13-9-19-14-8-11(18)4-5-12(13)14/h4-5,8-9,19H,6-7,10H2,1-3H3,(H,20,21)
InChIKeyZZJKDJLTPPBFMF-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.02
Rot. Bonds3

About N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide

N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide (PubChem CID 113085424) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide
PubChem CID113085424
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C17H21ClN2O/c1-16(2,3)15(21)20-10-17(6-7-17)13-9-19-14-8-11(18)4-5-12(13)14/h4-5,8-9,19H,6-7,10H2,1-3H3,(H,20,21)
InChIKeyZZJKDJLTPPBFMF-UHFFFAOYSA-N
XLogP4.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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]-2-methylpropanamide
CID 113085126
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
CID 113085133
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113085496
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide
CID 113085492
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]furan-2-carboxamide
CID 113085134
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085158
1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84642540
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 113085336
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide (CID 113085424) is N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1(c2c[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is ZZJKDJLTPPBFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-16(2,3)15(21)20-10-17(6-7-17)13-9-19-14-8-11(18)4-5-12(13)14/h4-5,8-9,19H,6-7,10H2,1-3H3,(H,20,21).
What are the key properties of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide?
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 304.82 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113085424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).