methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate

C28H30ClFN2O2 — CID 57499810

IUPACmethyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30ClFN2O2/c1-34-28(33)32(20-24-7-3-5-9-27(24)29)19-23-6-2-4-8-26(23)22-14-16-31(17-15-22)18-21-10-12-25(30)13-11-21/h2-13,22H,14-20H2,1H3
InChIKeyQWAFKRHHDQJKAJ-UHFFFAOYSA-N
MW481.01 g/mol
LogP6.63
Rot. Bonds7

About methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate

methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate (PubChem CID 57499810) has the molecular formula C28H30ClFN2O2 and a molecular weight of 481.01 g/mol. Its IUPAC name is methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
PubChem CID57499810
Molecular FormulaC28H30ClFN2O2
Molecular Weight481.01 g/mol
Exact Mass480.20
IUPAC Namemethyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
SMILESCOC(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C28H30ClFN2O2/c1-34-28(33)32(20-24-7-3-5-9-27(24)29)19-23-6-2-4-8-26(23)22-14-16-31(17-15-22)18-21-10-12-25(30)13-11-21/h2-13,22H,14-20H2,1H3
InChIKeyQWAFKRHHDQJKAJ-UHFFFAOYSA-N
XLogP6.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.01
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 134795929
Methyl 4-[[2-(2-fluorophenyl)phenyl]methyl]piperazine-1-carboxylate
CID 134802764
Methyl 4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazine-1-carboxylate
CID 134799821
3-Benzyl-5-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23029935
1-[(2-Chlorophenyl)methyl]-3-ethyl-1-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]urea
CID 23108446
N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
CID 23108489
N-[(3-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108573
N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108587
N-[(4-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 23108922
methyl N-[2-[2-[3-chloro-4-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]phenyl]phenyl]ethyl]carbamate
CID 46931618
methyl N-benzyl-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate
CID 57430059
methyl N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(2-phenylethyl)carbamate
CID 57499791

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate?
The IUPAC name of methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate (CID 57499810) is methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate is COC(=O)N(Cc1ccccc1Cl)Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate?
The InChIKey is QWAFKRHHDQJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClFN2O2/c1-34-28(33)32(20-24-7-3-5-9-27(24)29)19-23-6-2-4-8-26(23)22-14-16-31(17-15-22)18-21-10-12-25(30)13-11-21/h2-13,22H,14-20H2,1H3.
What are the key properties of methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate?
methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate has a molecular weight of 481.01 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-chlorophenyl)methyl]-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 57499810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).