phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate

C28H22F2N2O3 — CID 22978589

IUPACphenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F)Oc1ccccc1
InChIInChI=1S/C28H22F2N2O3/c29-21-15-14-20(26(30)16-21)18-31-27(33)25-13-7-6-12-24(25)23-11-5-4-8-19(23)17-32-28(34)35-22-9-2-1-3-10-22/h1-16H,17-18H2,(H,31,33)(H,32,34)
InChIKeyMWXMLKXWUQIHPY-UHFFFAOYSA-N
MW472.49 g/mol
LogP5.85
Rot. Bonds7

About phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate

phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate (PubChem CID 22978589) has the molecular formula C28H22F2N2O3 and a molecular weight of 472.49 g/mol. Its IUPAC name is phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
PubChem CID22978589
Molecular FormulaC28H22F2N2O3
Molecular Weight472.49 g/mol
Exact Mass472.16
IUPAC Namephenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F)Oc1ccccc1
InChIInChI=1S/C28H22F2N2O3/c29-21-15-14-20(26(30)16-21)18-31-27(33)25-13-7-6-12-24(25)23-11-5-4-8-19(23)17-32-28(34)35-22-9-2-1-3-10-22/h1-16H,17-18H2,(H,31,33)(H,32,34)
InChIKeyMWXMLKXWUQIHPY-UHFFFAOYSA-N
XLogP5.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]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

(4-fluorophenyl)methyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978511
N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide
CID 22978564
[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate
CID 70128800
ethane;propan-2-yl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]furan-2-yl]phenyl]methyl]carbamate
CID 142146448
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
2-[[(2,4-difluorophenyl)methylamino]methyl]benzoic acid
CID 103248413
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
tert-butyl N-[[2-[5-[(2,4-difluorophenyl)methylcarbamoyl]-3-pyridinyl]phenyl]methyl]carbamate
CID 10182580
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523

Frequently Asked Questions

What is the IUPAC name of phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate?
The IUPAC name of phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate (CID 22978589) is phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate.
What is the SMILES notation for phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate?
The canonical SMILES for phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate is O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F)Oc1ccccc1.
What is the InChIKey of phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate?
The InChIKey is MWXMLKXWUQIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N2O3/c29-21-15-14-20(26(30)16-21)18-31-27(33)25-13-7-6-12-24(25)23-11-5-4-8-19(23)17-32-28(34)35-22-9-2-1-3-10-22/h1-16H,17-18H2,(H,31,33)(H,32,34).
What are the key properties of phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate?
phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate has a molecular weight of 472.49 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 22978589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).