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

C20H21ClN2O2 — CID 40686377

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C20H21ClN2O2/c1-22(14-16-13-17(21)7-8-19(16)25-2)20(24)10-12-23-11-9-15-5-3-4-6-18(15)23/h3-9,11,13H,10,12,14H2,1-2H3
InChIKeyNDSKLIXGHMYMNS-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.35
Rot. Bonds6

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

N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide (PubChem CID 40686377) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide
PubChem CID40686377
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C20H21ClN2O2/c1-22(14-16-13-17(21)7-8-19(16)25-2)20(24)10-12-23-11-9-15-5-3-4-6-18(15)23/h3-9,11,13H,10,12,14H2,1-2H3
InChIKeyNDSKLIXGHMYMNS-UHFFFAOYSA-N
XLogP4.35
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N,1-dimethylindole-2-carboxamide
CID 55871435
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9183650
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
CID 84557932
2-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9183230
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
N-[(5-chloro-2-methoxyphenyl)methyl]-N,3-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 154567902
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 37350399
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 33164457

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide (CID 40686377) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide is COc1ccc(Cl)cc1CN(C)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide?
The InChIKey is NDSKLIXGHMYMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-22(14-16-13-17(21)7-8-19(16)25-2)20(24)10-12-23-11-9-15-5-3-4-6-18(15)23/h3-9,11,13H,10,12,14H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide has a molecular weight of 356.85 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3-indol-1-yl-N-methylpropanamide is sourced from PubChem (CID 40686377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).