3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide

C16H20Cl2N2O2 — CID 111520117

IUPAC3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-9(21)7-16(2,3)8-19-15(22)14-13(18)11-6-10(17)4-5-12(11)20-14/h4-6,9,20-21H,7-8H2,1-3H3,(H,19,22)
InChIKeyFSFUCQRWJHNTBK-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.00
Rot. Bonds5

About 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide

3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide (PubChem CID 111520117) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
PubChem CID111520117
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-9(21)7-16(2,3)8-19-15(22)14-13(18)11-6-10(17)4-5-12(11)20-14/h4-6,9,20-21H,7-8H2,1-3H3,(H,19,22)
InChIKeyFSFUCQRWJHNTBK-UHFFFAOYSA-N
XLogP4.00
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
CID 55644479
N-(4-hydroxy-2,2-dimethylpentyl)-3H-benzo[e]indole-2-carboxamide
CID 111480381
3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
CID 60543987
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176792
2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480490
N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490749
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015
1-(5-chloro-2-methylsulfanylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111474307
3-[(3,5-dichloro-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191758

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide (CID 111520117) is 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide is CC(O)CC(C)(C)CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide?
The InChIKey is FSFUCQRWJHNTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-9(21)7-16(2,3)8-19-15(22)14-13(18)11-6-10(17)4-5-12(11)20-14/h4-6,9,20-21H,7-8H2,1-3H3,(H,19,22).
What are the key properties of 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide?
3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 111520117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).