N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C18H20FN3O2 — CID 24604792

IUPACN-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCc1cccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)c1C
InChIInChI=1S/C18H20FN3O2/c1-12-4-3-5-16(13(12)2)22-17(23)11-21-18(24)20-10-14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyRLYTWHULPSDBKW-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.88
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 24604792) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID24604792
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCc1cccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)c1C
InChIInChI=1S/C18H20FN3O2/c1-12-4-3-5-16(13(12)2)22-17(23)11-21-18(24)20-10-14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyRLYTWHULPSDBKW-UHFFFAOYSA-N
XLogP2.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 24604792) is N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is Cc1cccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is RLYTWHULPSDBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-4-3-5-16(13(12)2)22-17(23)11-21-18(24)20-10-14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 24604792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).