N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide

C18H20FN3O2 — CID 49277700

IUPACN-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
SMILESCC(C)c1cccc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3O2/c1-12(2)13-4-3-5-16(10-13)22-18(24)20-11-17(23)21-15-8-6-14(19)7-9-15/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyNFPGRYKMMFMJAJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.71
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide

N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide (PubChem CID 49277700) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
PubChem CID49277700
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
SMILESCC(C)c1cccc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3O2/c1-12(2)13-4-3-5-16(10-13)22-18(24)20-11-17(23)21-15-8-6-14(19)7-9-15/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyNFPGRYKMMFMJAJ-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
CID 772260
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide (CID 49277700) is N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide is CC(C)c1cccc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide?
The InChIKey is NFPGRYKMMFMJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12(2)13-4-3-5-16(10-13)22-18(24)20-11-17(23)21-15-8-6-14(19)7-9-15/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide?
N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide has a molecular weight of 329.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 49277700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).