5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide

C17H15ClN2O2 — CID 10448389

IUPAC5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
SMILESCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-10(21)11-2-5-14(6-3-11)19-17(22)16-9-12-8-13(18)4-7-15(12)20-16/h2-10,20-21H,1H3,(H,19,22)
InChIKeyANPOEJSZJCSDOW-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.13
Rot. Bonds3

About 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide

5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 10448389) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID10448389
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
SMILESCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-10(21)11-2-5-14(6-3-11)19-17(22)16-9-12-8-13(18)4-7-15(12)20-16/h2-10,20-21H,1H3,(H,19,22)
InChIKeyANPOEJSZJCSDOW-UHFFFAOYSA-N
XLogP4.13
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
CID 113207245
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
CID 91404604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide (CID 10448389) is 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide is CC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is ANPOEJSZJCSDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10(21)11-2-5-14(6-3-11)19-17(22)16-9-12-8-13(18)4-7-15(12)20-16/h2-10,20-21H,1H3,(H,19,22).
What are the key properties of 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10448389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).