[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid

C19H16FN3O5 — CID 174189079

IUPAC[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
SMILESNC(=O)c1ccc(CC(CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1F
InChIInChI=1S/C19H16FN3O5/c20-15-8-10(5-6-14(15)16(21)24)7-11(22-19(27)28)9-23-17(25)12-3-1-2-4-13(12)18(23)26/h1-6,8,11,22H,7,9H2,(H2,21,24)(H,27,28)
InChIKeyWMZQCTBUXCOKCW-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.40
Rot. Bonds6

About [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid

[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid (PubChem CID 174189079) has the molecular formula C19H16FN3O5 and a molecular weight of 385.35 g/mol. Its IUPAC name is [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
PubChem CID174189079
Molecular FormulaC19H16FN3O5
Molecular Weight385.35 g/mol
Exact Mass385.11
IUPAC Name[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
SMILESNC(=O)c1ccc(CC(CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1F
InChIInChI=1S/C19H16FN3O5/c20-15-8-10(5-6-14(15)16(21)24)7-11(22-19(27)28)9-23-17(25)12-3-1-2-4-13(12)18(23)26/h1-6,8,11,22H,7,9H2,(H2,21,24)(H,27,28)
InChIKeyWMZQCTBUXCOKCW-UHFFFAOYSA-N
XLogP1.40
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(4-bromophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 68651874
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 22481659
[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid
CID 150921209
[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 174189114
2-methylpropyl N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(3-fluorophenyl)propan-2-yl]carbamate
CID 69007216
tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propan-2-yl]carbamate
CID 69164075
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide
CID 167564412
[1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate
CID 175526236
N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl]-2-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 142384366
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The IUPAC name of [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid (CID 174189079) is [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid is NC(=O)c1ccc(CC(CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1F.
What is the InChIKey of [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The InChIKey is WMZQCTBUXCOKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O5/c20-15-8-10(5-6-14(15)16(21)24)7-11(22-19(27)28)9-23-17(25)12-3-1-2-4-13(12)18(23)26/h1-6,8,11,22H,7,9H2,(H2,21,24)(H,27,28).
What are the key properties of [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid has a molecular weight of 385.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 174189079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).