N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide

C17H15ClFN3O3 — CID 154860174

IUPACN-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)c(F)c1
InChIInChI=1S/C17H15ClFN3O3/c18-12-4-2-11(3-5-12)17(25)8-22(9-17)16(24)21-14-6-1-10(15(20)23)7-13(14)19/h1-7,25H,8-9H2,(H2,20,23)(H,21,24)
InChIKeyFWFJCWXTIQESPF-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.31
Rot. Bonds3

About N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide

N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide (PubChem CID 154860174) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide
PubChem CID154860174
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC NameN-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)c(F)c1
InChIInChI=1S/C17H15ClFN3O3/c18-12-4-2-11(3-5-12)17(25)8-22(9-17)16(24)21-14-6-1-10(15(20)23)7-13(14)19/h1-7,25H,8-9H2,(H2,20,23)(H,21,24)
InChIKeyFWFJCWXTIQESPF-UHFFFAOYSA-N
XLogP2.31
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide
CID 86816888
N-(4-chloro-2-fluorophenyl)-4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
CID 136553187
4-(4-chlorobenzoyl)-N-(2,4-difluorophenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3881724
1-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide
CID 71920493
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]isoquinoline-6-carboxamide
CID 58495730
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide (CID 154860174) is N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide is NC(=O)c1ccc(NC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)c(F)c1.
What is the InChIKey of N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide?
The InChIKey is FWFJCWXTIQESPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c18-12-4-2-11(3-5-12)17(25)8-22(9-17)16(24)21-14-6-1-10(15(20)23)7-13(14)19/h1-7,25H,8-9H2,(H2,20,23)(H,21,24).
What are the key properties of N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide?
N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide has a molecular weight of 363.78 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide is sourced from PubChem (CID 154860174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).