benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate

C17H19FN2O4 — CID 171855626

IUPACbenzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
SMILESNc1ccc(F)cc1C(O)C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H19FN2O4/c18-12-6-7-14(19)13(8-12)16(22)15(21)9-20-17(23)24-10-11-4-2-1-3-5-11/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)
InChIKeyVOHCXCPSOTVXNV-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.73
Rot. Bonds6

About benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855626) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855626
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Namebenzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
SMILESNc1ccc(F)cc1C(O)C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H19FN2O4/c18-12-6-7-14(19)13(8-12)16(22)15(21)9-20-17(23)24-10-11-4-2-1-3-5-11/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)
InChIKeyVOHCXCPSOTVXNV-UHFFFAOYSA-N
XLogP1.73
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855969
benzyl N-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857228
3-amino-4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]benzoic acid
CID 171856383
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
3-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorobenzoic acid
CID 171856190
benzyl N-[3-(3-fluoro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855464
4-amino-3-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]benzoic acid
CID 171888884
benzyl N-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856446
benzyl N-[4-(2-amino-5-bromophenyl)-3,4-dihydroxybutyl]carbamate
CID 171889522
benzyl N-[3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855742
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
2-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]-5-fluorobenzoic acid
CID 171888707

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate (CID 171855626) is benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate is Nc1ccc(F)cc1C(O)C(O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is VOHCXCPSOTVXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-6-7-14(19)13(8-12)16(22)15(21)9-20-17(23)24-10-11-4-2-1-3-5-11/h1-8,15-16,21-22H,9-10,19H2,(H,20,23).
What are the key properties of benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 334.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).