N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide

C18H18FN3O2 — CID 71917764

IUPACN-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)N2CCC2)cc1
InChIInChI=1S/C18H18FN3O2/c19-15-6-8-16(9-7-15)21-17(23)14-4-2-13(3-5-14)12-20-18(24)22-10-1-11-22/h2-9H,1,10-12H2,(H,20,24)(H,21,23)
InChIKeyIQLJRXVIUVDFEY-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.99
Rot. Bonds4

About N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide

N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide (PubChem CID 71917764) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide
PubChem CID71917764
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)N2CCC2)cc1
InChIInChI=1S/C18H18FN3O2/c19-15-6-8-16(9-7-15)21-17(23)14-4-2-13(3-5-14)12-20-18(24)22-10-1-11-22/h2-9H,1,10-12H2,(H,20,24)(H,21,23)
InChIKeyIQLJRXVIUVDFEY-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 97022969
N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 158193978
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
N-(4-tert-butylphenyl)-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide
CID 44530075

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide (CID 71917764) is N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)N2CCC2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide?
The InChIKey is IQLJRXVIUVDFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-15-6-8-16(9-7-15)21-17(23)14-4-2-13(3-5-14)12-20-18(24)22-10-1-11-22/h2-9H,1,10-12H2,(H,20,24)(H,21,23).
What are the key properties of N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide?
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 71917764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).