methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate

C18H18ClFN2O3 — CID 134109333

IUPACmethyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate
SMILESCOC(=O)N(c1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C18H18ClFN2O3/c1-11(2)22(18(24)25-3)16-9-4-12(19)10-15(16)17(23)21-14-7-5-13(20)6-8-14/h4-11H,1-3H3,(H,21,23)
InChIKeyQAFFDKFDYCGXDY-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.71
Rot. Bonds4

About methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate

methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate (PubChem CID 134109333) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate
PubChem CID134109333
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Namemethyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate
SMILESCOC(=O)N(c1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C18H18ClFN2O3/c1-11(2)22(18(24)25-3)16-9-4-12(19)10-15(16)17(23)21-14-7-5-13(20)6-8-14/h4-11H,1-3H3,(H,21,23)
InChIKeyQAFFDKFDYCGXDY-UHFFFAOYSA-N
XLogP4.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate 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-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate
CID 118707131
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620465
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991560
N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide
CID 70678515
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
methyl N-[4-[(5-chloro-2-nitrobenzoyl)amino]phenyl]-N-methylcarbamate
CID 60578817
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate?
The IUPAC name of methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate (CID 134109333) is methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate?
The canonical SMILES for methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate is COC(=O)N(c1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1)C(C)C.
What is the InChIKey of methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate?
The InChIKey is QAFFDKFDYCGXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-11(2)22(18(24)25-3)16-9-4-12(19)10-15(16)17(23)21-14-7-5-13(20)6-8-14/h4-11H,1-3H3,(H,21,23).
What are the key properties of methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate?
methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate has a molecular weight of 364.80 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 134109333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).