3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide

C22H18ClN3O — CID 166062989

IUPAC3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O/c23-20-6-2-5-18(13-20)22(27)25-9-7-15-3-1-4-16(11-15)19-12-17-8-10-24-21(17)26-14-19/h1-6,8,10-14H,7,9H2,(H,24,26)(H,25,27)
InChIKeyFNETUHZLEFLOKN-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.86
Rot. Bonds5

About 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide

3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide (PubChem CID 166062989) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide
PubChem CID166062989
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O/c23-20-6-2-5-18(13-20)22(27)25-9-7-15-3-1-4-16(11-15)19-12-17-8-10-24-21(17)26-14-19/h1-6,8,10-14H,7,9H2,(H,24,26)(H,25,27)
InChIKeyFNETUHZLEFLOKN-UHFFFAOYSA-N
XLogP4.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
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2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide (CID 166062989) is 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide is O=C(NCCc1cccc(-c2cnc3[nH]ccc3c2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide?
The InChIKey is FNETUHZLEFLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-20-6-2-5-18(13-20)22(27)25-9-7-15-3-1-4-16(11-15)19-12-17-8-10-24-21(17)26-14-19/h1-6,8,10-14H,7,9H2,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide?
3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide has a molecular weight of 375.86 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 166062989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).