N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide

C23H19F3N4O2 — CID 138609165

IUPACN-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide
SMILESNc1ccc(F)c(F)c1NC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1
InChIInChI=1S/C23H19F3N4O2/c24-15-6-9-18(28-12-15)29-22(32)23(10-1-11-23)14-4-2-13(3-5-14)21(31)30-20-17(27)8-7-16(25)19(20)26/h2-9,12H,1,10-11,27H2,(H,30,31)(H,28,29,32)
InChIKeyRCRPMNOUVDRYOF-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.39
Rot. Bonds5

About N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide

N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide (PubChem CID 138609165) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide.

Molecular Properties

Compound NameN-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide
PubChem CID138609165
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide
SMILESNc1ccc(F)c(F)c1NC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1
InChIInChI=1S/C23H19F3N4O2/c24-15-6-9-18(28-12-15)29-22(32)23(10-1-11-23)14-4-2-13(3-5-14)21(31)30-20-17(27)8-7-16(25)19(20)26/h2-9,12H,1,10-11,27H2,(H,30,31)(H,28,29,32)
InChIKeyRCRPMNOUVDRYOF-UHFFFAOYSA-N
XLogP4.39
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide
CID 67987851
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
N-(5-fluoro-2-pyridinyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)cyclobutane-1-carboxamide
CID 142580499
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 51090234
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
CID 89307313
CID 89307313
N'-(5-fluoro-2-pyridinyl)-1-methylcyclobutane-1-carbohydrazide
CID 137354234

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide?
The IUPAC name of N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide (CID 138609165) is N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide.
What is the SMILES notation for N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide?
The canonical SMILES for N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide is Nc1ccc(F)c(F)c1NC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.
What is the InChIKey of N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide?
The InChIKey is RCRPMNOUVDRYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-15-6-9-18(28-12-15)29-22(32)23(10-1-11-23)14-4-2-13(3-5-14)21(31)30-20-17(27)8-7-16(25)19(20)26/h2-9,12H,1,10-11,27H2,(H,30,31)(H,28,29,32).
What are the key properties of N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide?
N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide has a molecular weight of 440.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide is sourced from PubChem (CID 138609165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).