N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide

C14H19FN4O2 — CID 119051831

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
SMILESCNC(=O)NC1CN(C(=O)NCc2ccc(C)c(F)c2)C1
InChIInChI=1S/C14H19FN4O2/c1-9-3-4-10(5-12(9)15)6-17-14(21)19-7-11(8-19)18-13(20)16-2/h3-5,11H,6-8H2,1-2H3,(H,17,21)(H2,16,18,20)
InChIKeyYOCKHNLNGCPDOE-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.96
Rot. Bonds3

About N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide (PubChem CID 119051831) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
PubChem CID119051831
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
SMILESCNC(=O)NC1CN(C(=O)NCc2ccc(C)c(F)c2)C1
InChIInChI=1S/C14H19FN4O2/c1-9-3-4-10(5-12(9)15)6-17-14(21)19-7-11(8-19)18-13(20)16-2/h3-5,11H,6-8H2,1-2H3,(H,17,21)(H2,16,18,20)
InChIKeyYOCKHNLNGCPDOE-UHFFFAOYSA-N
XLogP0.96
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepane-1,4-dicarboxamide
CID 30886315
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 30886387
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
4-(3,4-dimethylphenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperazine-1-carboxamide
CID 38951767
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100743878
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 87002970
2-(3,5-dimethylpiperazin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 63871978
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide (CID 119051831) is N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide is CNC(=O)NC1CN(C(=O)NCc2ccc(C)c(F)c2)C1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide?
The InChIKey is YOCKHNLNGCPDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-9-3-4-10(5-12(9)15)6-17-14(21)19-7-11(8-19)18-13(20)16-2/h3-5,11H,6-8H2,1-2H3,(H,17,21)(H2,16,18,20).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-3-(methylcarbamoylamino)azetidine-1-carboxamide is sourced from PubChem (CID 119051831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).