5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde

C14H17ClN2O3 — CID 160716465

IUPAC5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde
SMILESC=O.Cn1cc(C(=O)NC(C)(C)O)c2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2O2.CH2O/c1-13(2,18)15-12(17)10-7-16(3)11-5-4-8(14)6-9(10)11;1-2/h4-7,18H,1-3H3,(H,15,17);1H2
InChIKeyRSNOSXXUQLRQIQ-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.11
Rot. Bonds2

About 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde

5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde (PubChem CID 160716465) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde
PubChem CID160716465
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde
SMILESC=O.Cn1cc(C(=O)NC(C)(C)O)c2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2O2.CH2O/c1-13(2,18)15-12(17)10-7-16(3)11-5-4-8(14)6-9(10)11;1-2/h4-7,18H,1-3H3,(H,15,17);1H2
InChIKeyRSNOSXXUQLRQIQ-UHFFFAOYSA-N
XLogP2.11
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-1-methylindol-3-yl)-2-(ethylamino)butan-1-one
CID 162765541
N,1,5-trimethylindole-3-carboxamide
CID 25149961
(Z)-but-2-ene;4-(5-chloro-1-methylindol-3-yl)-4-oxobutanoic acid
CID 143232166
6-bromo-1-(5-chloro-1-methylindol-3-yl)hexan-1-one
CID 54113253
2-(5-chloro-1-methylindol-3-yl)-N-methylpropan-2-amine
CID 84628690
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
2-[[1-(4-tert-butylphenyl)sulfonyl-5-chloroindole-3-carbonyl]amino]-2-methylpropanoic acid
CID 24958996
5-tert-butyl-1-methylindole-3-carboxylic acid
CID 82278768
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
1-acetyl-5-chloro-N-(2,6-dichlorophenyl)indole-3-carboxamide
CID 113212672

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde?
The IUPAC name of 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde (CID 160716465) is 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde.
What is the SMILES notation for 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde?
The canonical SMILES for 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde is C=O.Cn1cc(C(=O)NC(C)(C)O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde?
The InChIKey is RSNOSXXUQLRQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2.CH2O/c1-13(2,18)15-12(17)10-7-16(3)11-5-4-8(14)6-9(10)11;1-2/h4-7,18H,1-3H3,(H,15,17);1H2.
What are the key properties of 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde?
5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde has a molecular weight of 296.75 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxypropan-2-yl)-1-methylindole-3-carboxamide;formaldehyde is sourced from PubChem (CID 160716465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).