2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide

C20H19ClN2O — CID 41108991

IUPAC2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
SMILESO=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC1CC1
InChIInChI=1S/C20H19ClN2O/c21-16-7-5-14(6-8-16)12-23-13-15(11-20(24)22-17-9-10-17)18-3-1-2-4-19(18)23/h1-8,13,17H,9-12H2,(H,22,24)
InChIKeyRHJJLHDQFFXQSC-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.16
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide (PubChem CID 41108991) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
PubChem CID41108991
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
SMILESO=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC1CC1
InChIInChI=1S/C20H19ClN2O/c21-16-7-5-14(6-8-16)12-23-13-15(11-20(24)22-17-9-10-17)18-3-1-2-4-19(18)23/h1-8,13,17H,9-12H2,(H,22,24)
InChIKeyRHJJLHDQFFXQSC-UHFFFAOYSA-N
XLogP4.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41109175
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide
CID 41108967
methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate
CID 41108918
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
CID 41108922
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-3-methylbutan-1-amine
CID 124826333

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide (CID 41108991) is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide is O=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC1CC1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide?
The InChIKey is RHJJLHDQFFXQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-16-7-5-14(6-8-16)12-23-13-15(11-20(24)22-17-9-10-17)18-3-1-2-4-19(18)23/h1-8,13,17H,9-12H2,(H,22,24).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide?
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide has a molecular weight of 338.84 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 41108991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).