(3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

C21H14Cl2N2O2 — CID 166063509

IUPAC(3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)n1ccc2cccnc21
InChIInChI=1S/C21H14Cl2N2O2/c22-17-11-16(21(26)25-10-8-15-7-4-9-24-20(15)25)12-18(23)19(17)27-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyWGSRUHGYJYJDCZ-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.61
Rot. Bonds4

About (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

(3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (PubChem CID 166063509) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
PubChem CID166063509
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name(3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)n1ccc2cccnc21
InChIInChI=1S/C21H14Cl2N2O2/c22-17-11-16(21(26)25-10-8-15-7-4-9-24-20(15)25)12-18(23)19(17)27-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyWGSRUHGYJYJDCZ-UHFFFAOYSA-N
XLogP5.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
(3,5-dichloro-4-phenylmethoxyphenyl)-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)methanone
CID 69233801
(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 2302016
2,3-bis[(3,5-dichloro-4-phenylmethoxybenzoyl)oxy]propyl 3,5-dichloro-4-phenylmethoxybenzoate
CID 11445948
(3,5-dichloro-4-hydroxyphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone;(3,5-dichloro-4-phenylmethoxyphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 159122153
N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide
CID 69233279
1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea
CID 66813522
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
(E)-3-(3,5-dichloro-4-phenylmethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873346
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The IUPAC name of (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (CID 166063509) is (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.
What is the SMILES notation for (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The canonical SMILES for (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is O=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)n1ccc2cccnc21.
What is the InChIKey of (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The InChIKey is WGSRUHGYJYJDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-17-11-16(21(26)25-10-8-15-7-4-9-24-20(15)25)12-18(23)19(17)27-13-14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
(3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone has a molecular weight of 397.26 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is sourced from PubChem (CID 166063509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).