3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide

C23H19Cl2N3O2 — CID 138543813

IUPAC3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2(NC(=O)c3ncccc3Cl)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H19Cl2N3O2/c24-17-5-1-4-15(14-17)21(29)27-18-9-7-16(8-10-18)23(11-3-12-23)28-22(30)20-19(25)6-2-13-26-20/h1-2,4-10,13-14H,3,11-12H2,(H,27,29)(H,28,30)
InChIKeyWLQHGPRBCHYAML-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.45
Rot. Bonds5

About 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide

3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 138543813) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide
PubChem CID138543813
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2(NC(=O)c3ncccc3Cl)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H19Cl2N3O2/c24-17-5-1-4-15(14-17)21(29)27-18-9-7-16(8-10-18)23(11-3-12-23)28-22(30)20-19(25)6-2-13-26-20/h1-2,4-10,13-14H,3,11-12H2,(H,27,29)(H,28,30)
InChIKeyWLQHGPRBCHYAML-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
CID 138543815
tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
CID 138554710
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[4-[1-(phenylsulfanylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 170106617
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 138543840
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide (CID 138543813) is 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide is O=C(Nc1ccc(C2(NC(=O)c3ncccc3Cl)CCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is WLQHGPRBCHYAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c24-17-5-1-4-15(14-17)21(29)27-18-9-7-16(8-10-18)23(11-3-12-23)28-22(30)20-19(25)6-2-13-26-20/h1-2,4-10,13-14H,3,11-12H2,(H,27,29)(H,28,30).
What are the key properties of 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide?
3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 440.33 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 138543813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).