N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide

C20H21ClN2O — CID 53160248

IUPACN-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide
SMILESCCn1ccc2c(CCC(=O)NCc3cccc(Cl)c3)cccc21
InChIInChI=1S/C20H21ClN2O/c1-2-23-12-11-18-16(6-4-8-19(18)23)9-10-20(24)22-14-15-5-3-7-17(21)13-15/h3-8,11-13H,2,9-10,14H2,1H3,(H,22,24)
InChIKeyUNWHEYRVZZJSAO-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.56
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide

N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide (PubChem CID 53160248) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide
PubChem CID53160248
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide
SMILESCCn1ccc2c(CCC(=O)NCc3cccc(Cl)c3)cccc21
InChIInChI=1S/C20H21ClN2O/c1-2-23-12-11-18-16(6-4-8-19(18)23)9-10-20(24)22-14-15-5-3-7-17(21)13-15/h3-8,11-13H,2,9-10,14H2,1H3,(H,22,24)
InChIKeyUNWHEYRVZZJSAO-UHFFFAOYSA-N
XLogP4.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899803
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840847
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid
CID 53096040
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899802
N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
CID 176845405
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide (CID 53160248) is N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide is CCn1ccc2c(CCC(=O)NCc3cccc(Cl)c3)cccc21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide?
The InChIKey is UNWHEYRVZZJSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-2-23-12-11-18-16(6-4-8-19(18)23)9-10-20(24)22-14-15-5-3-7-17(21)13-15/h3-8,11-13H,2,9-10,14H2,1H3,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide?
N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide has a molecular weight of 340.85 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide is sourced from PubChem (CID 53160248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).