benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate

C19H19FN2O2 — CID 11232635

IUPACbenzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(N2CC3CC3C2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C19H19FN2O2/c20-17-9-16(6-7-18(17)22-10-14-8-15(14)11-22)21-19(23)24-12-13-4-2-1-3-5-13/h1-7,9,14-15H,8,10-12H2,(H,21,23)
InChIKeyMQMUHWWPSINTBH-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.03
Rot. Bonds4

About benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate

benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate (PubChem CID 11232635) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate
PubChem CID11232635
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Namebenzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(N2CC3CC3C2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C19H19FN2O2/c20-17-9-16(6-7-18(17)22-10-14-8-15(14)11-22)21-19(23)24-12-13-4-2-1-3-5-13/h1-7,9,14-15H,8,10-12H2,(H,21,23)
InChIKeyMQMUHWWPSINTBH-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]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-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
benzyl N-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]carbamate
CID 126483784
benzyl N-[3-fluoro-4-(7H-1,4-thiazepin-4-yl)phenyl]carbamate
CID 159351447
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-(4-cyano-3-fluorophenyl)carbamate
CID 131116637
benzyl N-[4-(dimethoxymethyl)-3-fluorophenyl]carbamate
CID 22245060
benzyl N-(3-fluoro-4-tritylsulfanylphenyl)carbamate
CID 22714564
benzyl N-[3,5-difluoro-4-[(1S,5R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]carbamate
CID 11340122
ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate
CID 67154749
benzyl N-[3-fluoro-4-(3-hydroxythiolan-3-yl)phenyl]carbamate
CID 140988545
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl 3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-3-hydroxypiperidine-1-carboxylate
CID 54214549

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate?
The IUPAC name of benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate (CID 11232635) is benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate is O=C(Nc1ccc(N2CC3CC3C2)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate?
The InChIKey is MQMUHWWPSINTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-9-16(6-7-18(17)22-10-14-8-15(14)11-22)21-19(23)24-12-13-4-2-1-3-5-13/h1-7,9,14-15H,8,10-12H2,(H,21,23).
What are the key properties of benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate?
benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate has a molecular weight of 326.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate is sourced from PubChem (CID 11232635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).