N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

C25H28ClF2N3O2 — CID 177210995

IUPACN-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
SMILESCNC(=O)c1cc(Cl)c(F)cc1NC(=O)C1(c2ccccc2C(C)C)CN(C2CC(F)C2)C1
InChIInChI=1S/C25H28ClF2N3O2/c1-14(2)17-6-4-5-7-19(17)25(12-31(13-25)16-8-15(27)9-16)24(33)30-22-11-21(28)20(26)10-18(22)23(32)29-3/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyJWLILJJSZPGAMT-UHFFFAOYSA-N
MW475.97 g/mol
LogP4.65
Rot. Bonds6

About N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide

N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (PubChem CID 177210995) has the molecular formula C25H28ClF2N3O2 and a molecular weight of 475.97 g/mol. Its IUPAC name is N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
PubChem CID177210995
Molecular FormulaC25H28ClF2N3O2
Molecular Weight475.97 g/mol
Exact Mass475.18
IUPAC NameN-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
SMILESCNC(=O)c1cc(Cl)c(F)cc1NC(=O)C1(c2ccccc2C(C)C)CN(C2CC(F)C2)C1
InChIInChI=1S/C25H28ClF2N3O2/c1-14(2)17-6-4-5-7-19(17)25(12-31(13-25)16-8-15(27)9-16)24(33)30-22-11-21(28)20(26)10-18(22)23(32)29-3/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyJWLILJJSZPGAMT-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-3-fluoropyridine-2-carboxylic acid
CID 177211224
1-(butanoylsulfamoyl)-N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 177211060
tert-butyl 3-[[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]carbamoyl]-3-(2-propan-2-ylphenyl)pyrrolidine-1-carboxylate
CID 177211213
3-[[3-[[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]benzoic acid
CID 177211264
N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-[6-(hydroxymethyl)pyridazin-3-yl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 177211317
N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-[3-(cyanomethyl)oxetan-3-yl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 177211073
6-[3-[[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-4-methylpyridine-3-carboxylic acid
CID 177211283
tert-butyl 4-[[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]carbamoyl]-4-(2-propan-2-ylphenyl)piperidine-1-carboxylate
CID 177211062
N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-[[3-(cyanomethyl)oxetan-3-yl]methyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 177211048
2-chloro-N-methyl-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide
CID 177211255
1-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropyl]-N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 177211068
2-chloro-N-methyl-5-[[1-methylsulfonyl-3-(2-propan-2-ylphenyl)azetidine-3-carbonyl]amino]pyridine-4-carboxamide
CID 177210954

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The IUPAC name of N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide (CID 177210995) is N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is CNC(=O)c1cc(Cl)c(F)cc1NC(=O)C1(c2ccccc2C(C)C)CN(C2CC(F)C2)C1.
What is the InChIKey of N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
The InChIKey is JWLILJJSZPGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF2N3O2/c1-14(2)17-6-4-5-7-19(17)25(12-31(13-25)16-8-15(27)9-16)24(33)30-22-11-21(28)20(26)10-18(22)23(32)29-3/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide?
N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide has a molecular weight of 475.97 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-fluoro-2-(methylcarbamoyl)phenyl]-1-(3-fluorocyclobutyl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 177210995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).