3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide

C21H15Cl2N3O — CID 162037501

IUPAC3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cnc2c(c1)CC(c1cc(NC(=O)c3cccc(Cl)c3)ccc1Cl)=N2
InChIInChI=1S/C21H15Cl2N3O/c1-12-7-14-9-19(26-20(14)24-11-12)17-10-16(5-6-18(17)23)25-21(27)13-3-2-4-15(22)8-13/h2-8,10-11H,9H2,1H3,(H,25,27)
InChIKeyYWVLZDDRFISNJI-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.63
Rot. Bonds3

About 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide

3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 162037501) has the molecular formula C21H15Cl2N3O and a molecular weight of 396.28 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
PubChem CID162037501
Molecular FormulaC21H15Cl2N3O
Molecular Weight396.28 g/mol
Exact Mass395.06
IUPAC Name3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1cnc2c(c1)CC(c1cc(NC(=O)c3cccc(Cl)c3)ccc1Cl)=N2
InChIInChI=1S/C21H15Cl2N3O/c1-12-7-14-9-19(26-20(14)24-11-12)17-10-16(5-6-18(17)23)25-21(27)13-3-2-4-15(22)8-13/h2-8,10-11H,9H2,1H3,(H,25,27)
InChIKeyYWVLZDDRFISNJI-UHFFFAOYSA-N
XLogP5.63
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
CID 147408240
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide
CID 159861957
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide
CID 158505438
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide
CID 159741721
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 162219096
2-chloro-N-[4-chloro-3-[5-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]benzamide
CID 161444002
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
ethyl N-[4-chloro-3-[5-(4-ethylphenyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]carbamate
CID 162107812
propan-2-yl 2-[2-[2-chloro-5-(propan-2-yloxycarbonylamino)phenyl]-3H-pyrrolo[2,3-b]pyridin-5-yl]acetate
CID 147335776
[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate
CID 67213098
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide (CID 162037501) is 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide is Cc1cnc2c(c1)CC(c1cc(NC(=O)c3cccc(Cl)c3)ccc1Cl)=N2.
What is the InChIKey of 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is YWVLZDDRFISNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O/c1-12-7-14-9-19(26-20(14)24-11-12)17-10-16(5-6-18(17)23)25-21(27)13-3-2-4-15(22)8-13/h2-8,10-11H,9H2,1H3,(H,25,27).
What are the key properties of 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide?
3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 396.28 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 162037501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).