3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide

C23H19Cl2N3O2 — CID 138543849

IUPAC3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)Nc3ccc(Cl)nc3)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H19Cl2N3O2/c24-17-4-1-3-15(13-17)21(29)27-18-7-5-16(6-8-18)23(11-2-12-23)22(30)28-19-9-10-20(25)26-14-19/h1,3-10,13-14H,2,11-12H2,(H,27,29)(H,28,30)
InChIKeyTTXKXLJFSQNVKD-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.70
Rot. Bonds5

About 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide

3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide (PubChem CID 138543849) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide
PubChem CID138543849
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)Nc3ccc(Cl)nc3)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H19Cl2N3O2/c24-17-4-1-3-15(13-17)21(29)27-18-7-5-16(6-8-18)23(11-2-12-23)22(30)28-19-9-10-20(25)26-14-19/h1,3-10,13-14H,2,11-12H2,(H,27,29)(H,28,30)
InChIKeyTTXKXLJFSQNVKD-UHFFFAOYSA-N
XLogP5.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Boscalid
CID 213013
Ica-27243
CID 9903497
2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
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CID 762535
2,4-dichloro-N-(pyridin-3-yl)benzamide
CID 599595
N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
CID 67120985
5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 2801003
Ztz240
CID 3780776
4-chloro-N-(6-chloropyridin-3-yl)benzamide
CID 4314115
N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide
CID 11472986
N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-chloropyridin-2-yl]benzamide
CID 11603554
N4-benzyl-2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)terephthalamide
CID 52942245

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide (CID 138543849) is 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide is O=C(Nc1ccc(C2(C(=O)Nc3ccc(Cl)nc3)CCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide?
The InChIKey is TTXKXLJFSQNVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c24-17-4-1-3-15(13-17)21(29)27-18-7-5-16(6-8-18)23(11-2-12-23)22(30)28-19-9-10-20(25)26-14-19/h1,3-10,13-14H,2,11-12H2,(H,27,29)(H,28,30).
What are the key properties of 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide?
3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide has a molecular weight of 440.33 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[1-[(6-chloro-3-pyridinyl)carbamoyl]cyclobutyl]phenyl]benzamide is sourced from PubChem (CID 138543849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).