benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate

C24H29FN2O2 — CID 130453530

IUPACbenzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
SMILESO=C(NC1CCC(F)(CNC2CC2c2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C24H29FN2O2/c25-24(17-26-22-15-21(22)19-9-5-2-6-10-19)13-11-20(12-14-24)27-23(28)29-16-18-7-3-1-4-8-18/h1-10,20-22,26H,11-17H2,(H,27,28)
InChIKeyCISLREHJMDYZRP-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.71
Rot. Bonds7

About benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate

benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate (PubChem CID 130453530) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
PubChem CID130453530
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Namebenzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
SMILESO=C(NC1CCC(F)(CNC2CC2c2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C24H29FN2O2/c25-24(17-26-22-15-21(22)19-9-5-2-6-10-19)13-11-20(12-14-24)27-23(28)29-16-18-7-3-1-4-8-18/h1-10,20-22,26H,11-17H2,(H,27,28)
InChIKeyCISLREHJMDYZRP-UHFFFAOYSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]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

Enpromate
CID 24912
Benzyl 1-phenylethylcarbamate
CID 9837961
N-carbobenzoxy-L-phenylalanilol
CID 853481
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
Nalpha-[(benzyloxy)carbonyl]-N-cyclopropylphenylalaninamide
CID 2974355
Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate
CID 736170
Benzyl 4-[(2-cyclohexylidene-2-fluoroethyl)amino]-1-piperidinecarboxylate
CID 23646099
benzyl N-(2-{[(benzyloxy)carbonyl]amino}cyclopropyl)carbamate
CID 2815448
Benzyl phenethylcarbamate
CID 4779135
Benzyl {4-oxo-4-[(2-phenylethyl)amino]butyl}carbamate
CID 90024759
Dibenzyl hexane-1,6-diylbiscarbamate
CID 262042
Benzyl {2-oxo-2-[(2-phenylethyl)amino]ethyl}carbamate
CID 3101230

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate (CID 130453530) is benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate is O=C(NC1CCC(F)(CNC2CC2c2ccccc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate?
The InChIKey is CISLREHJMDYZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-24(17-26-22-15-21(22)19-9-5-2-6-10-19)13-11-20(12-14-24)27-23(28)29-16-18-7-3-1-4-8-18/h1-10,20-22,26H,11-17H2,(H,27,28).
What are the key properties of benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate?
benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate has a molecular weight of 396.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 130453530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).