N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide

C20H22FN3O3 — CID 35187050

IUPACN-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H22FN3O3/c1-20(2,3)19(27)22-16-6-4-5-14(12-16)18(26)24-23-17(25)11-13-7-9-15(21)10-8-13/h4-10,12H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyMSOBGAYKNGXQAY-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.81
Rot. Bonds4

About N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide

N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 35187050) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
PubChem CID35187050
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H22FN3O3/c1-20(2,3)19(27)22-16-6-4-5-14(12-16)18(26)24-23-17(25)11-13-7-9-15(21)10-8-13/h4-10,12H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyMSOBGAYKNGXQAY-UHFFFAOYSA-N
XLogP2.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]carbamate
CID 9161852
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31726265
2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide
CID 78840745
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 134027331
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
4-ethoxy-N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 26656829
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide (CID 35187050) is N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is MSOBGAYKNGXQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-20(2,3)19(27)22-16-6-4-5-14(12-16)18(26)24-23-17(25)11-13-7-9-15(21)10-8-13/h4-10,12H,11H2,1-3H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide?
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 371.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 35187050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).