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

C16H13ClN2O2 — CID 44520826

IUPAC5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H13ClN2O2/c17-12-3-6-14-11(7-12)8-15(19-14)16(21)18-13-4-1-10(9-20)2-5-13/h1-8,19-20H,9H2,(H,18,21)
InChIKeyAXRLHHFRSCCWLI-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.57
Rot. Bonds3

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

5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 44520826) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID44520826
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H13ClN2O2/c17-12-3-6-14-11(7-12)8-15(19-14)16(21)18-13-4-1-10(9-20)2-5-13/h1-8,19-20H,9H2,(H,18,21)
InChIKeyAXRLHHFRSCCWLI-UHFFFAOYSA-N
XLogP3.57
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6450546
CID 6450546
CID 82693
CID 82693
CID 9843900
CID 9843900
CID 3721490
CID 3721490
CID 10042315
CID 10042315
CID 44473112
CID 44473112
CID 44473113
CID 44473113
CID 44520836
CID 44520836
CID 44520840
CID 44520840
CID 44520841
CID 44520841
CID 737953
CID 737953
CID 3159706
CID 3159706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide (CID 44520826) is 5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(CO)cc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is AXRLHHFRSCCWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-3-6-14-11(7-12)8-15(19-14)16(21)18-13-4-1-10(9-20)2-5-13/h1-8,19-20H,9H2,(H,18,21).
What are the key properties of 5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.57, 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-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44520826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).