N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide

C18H18FN3O2 — CID 86799701

IUPACN-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1c1ccccc1
InChIInChI=1S/C18H18FN3O2/c1-11-10-22(16(11)12-5-3-2-4-6-12)18(24)21-13-7-8-14(17(20)23)15(19)9-13/h2-9,11,16H,10H2,1H3,(H2,20,23)(H,21,24)
InChIKeyREBXLDHYWCFKBG-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.15
Rot. Bonds3

About N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide

N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide (PubChem CID 86799701) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide
PubChem CID86799701
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1c1ccccc1
InChIInChI=1S/C18H18FN3O2/c1-11-10-22(16(11)12-5-3-2-4-6-12)18(24)21-13-7-8-14(17(20)23)15(19)9-13/h2-9,11,16H,10H2,1H3,(H2,20,23)(H,21,24)
InChIKeyREBXLDHYWCFKBG-UHFFFAOYSA-N
XLogP3.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide (CID 86799701) is N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide is CC1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1c1ccccc1.
What is the InChIKey of N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide?
The InChIKey is REBXLDHYWCFKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11-10-22(16(11)12-5-3-2-4-6-12)18(24)21-13-7-8-14(17(20)23)15(19)9-13/h2-9,11,16H,10H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide?
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 86799701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).