N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide

C17H15ClN2O2 — CID 20970846

IUPACN-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C17H15ClN2O2/c1-22-10-17(21)19-14-4-2-3-11(8-14)16-9-12-7-13(18)5-6-15(12)20-16/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyXNZQJXFHDXFYJN-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.07
Rot. Bonds4

About N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide

N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide (PubChem CID 20970846) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
PubChem CID20970846
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C17H15ClN2O2/c1-22-10-17(21)19-14-4-2-3-11(8-14)16-9-12-7-13(18)5-6-15(12)20-16/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyXNZQJXFHDXFYJN-UHFFFAOYSA-N
XLogP4.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide
CID 46375026
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
CID 46334596
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 46334572
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide
CID 35521831
N-[3-(1H-indol-2-yl)phenyl]pentanamide
CID 46374998
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
CID 131932809
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide (CID 20970846) is N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide?
The InChIKey is XNZQJXFHDXFYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-10-17(21)19-14-4-2-3-11(8-14)16-9-12-7-13(18)5-6-15(12)20-16/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide?
N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide has a molecular weight of 314.77 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 20970846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).