3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide

C12H12Cl2N2O2 — CID 110900787

IUPAC3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
SMILESCC(O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-6(17)5-15-12(18)11-10(14)8-4-7(13)2-3-9(8)16-11/h2-4,6,16-17H,5H2,1H3,(H,15,18)
InChIKeyIIBBFXZQJRHONX-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.59
Rot. Bonds3

About 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide

3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide (PubChem CID 110900787) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
PubChem CID110900787
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
SMILESCC(O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-6(17)5-15-12(18)11-10(14)8-4-7(13)2-3-9(8)16-11/h2-4,6,16-17H,5H2,1H3,(H,15,18)
InChIKeyIIBBFXZQJRHONX-UHFFFAOYSA-N
XLogP2.59
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
CID 111520117
3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
CID 55644479
3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
CID 60543987
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
3,5-dichloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
CID 60545169
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176792
3-[(3,5-dichloro-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191758
3,5-dichloro-N-[(3-methoxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 60544817
3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 55913427
3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide
CID 87033246
3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 99809255

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide (CID 110900787) is 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide is CC(O)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide?
The InChIKey is IIBBFXZQJRHONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-6(17)5-15-12(18)11-10(14)8-4-7(13)2-3-9(8)16-11/h2-4,6,16-17H,5H2,1H3,(H,15,18).
What are the key properties of 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide?
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide has a molecular weight of 287.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 110900787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).