[1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate

C11H13FN2O4 — CID 175526236

IUPAC[1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate
SMILESNC(=O)OC(CO)Cc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C11H13FN2O4/c12-9-4-6(1-2-8(9)10(13)16)3-7(5-15)18-11(14)17/h1-2,4,7,15H,3,5H2,(H2,13,16)(H2,14,17)
InChIKeyMPHCOIXADNJNQA-UHFFFAOYSA-N
MW256.23 g/mol
LogP-0.08
Rot. Bonds5

About [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate

[1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate (PubChem CID 175526236) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate
PubChem CID175526236
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name[1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate
SMILESNC(=O)OC(CO)Cc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C11H13FN2O4/c12-9-4-6(1-2-8(9)10(13)16)3-7(5-15)18-11(14)17/h1-2,4,7,15H,3,5H2,(H2,13,16)(H2,14,17)
InChIKeyMPHCOIXADNJNQA-UHFFFAOYSA-N
XLogP-0.08
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-4-amino-3-(dimethylamino)-2-methylbutyl]-2-fluorobenzamide
CID 165405492
2-fluoro-4-propylbenzamide
CID 175786906
2-fluoro-4-[3-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]propyl]benzamide
CID 167564412
2,4-difluorobenzamide;dihydrochloride
CID 22032026
methyl 4-(2-carbamoyl-3-methylbutyl)-2-fluorobenzoate
CID 175124320
5-(3-amino-2-methoxy-3-oxopropyl)-2-fluorobenzamide
CID 90731981
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 22481659
[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 174189079
4-(aminooxymethyl)-2-fluorobenzoic acid
CID 106698513
2-fluoro-4-[2-hydroxy-2-(1,2,4,5-tetrazin-3-yl)ethyl]benzoic acid
CID 174164895
(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
CID 103338112
4-(hydroxymethyl)-2-methylbenzamide
CID 69484226

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate?
The IUPAC name of [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate (CID 175526236) is [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate.
What is the SMILES notation for [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate?
The canonical SMILES for [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate is NC(=O)OC(CO)Cc1ccc(C(N)=O)c(F)c1.
What is the InChIKey of [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate?
The InChIKey is MPHCOIXADNJNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c12-9-4-6(1-2-8(9)10(13)16)3-7(5-15)18-11(14)17/h1-2,4,7,15H,3,5H2,(H2,13,16)(H2,14,17).
What are the key properties of [1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate?
[1-(4-carbamoyl-3-fluorophenyl)-3-hydroxypropan-2-yl] carbamate has a molecular weight of 256.23 g/mol, XLogP of -0.08, 5 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-hydroxypropan-2-yl] carbamate is sourced from PubChem (CID 175526236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).