N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide

C24H20ClF3N2O3 — CID 20524556

IUPACN-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(OC(C)c2ccc(Cl)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H20ClF3N2O3/c1-14-5-3-4-6-19(14)22(31)30-23(32)29-18-11-12-21(20(13-18)24(26,27)28)33-15(2)16-7-9-17(25)10-8-16/h3-13,15H,1-2H3,(H2,29,30,31,32)
InChIKeyPCLSNRCDAXXCGM-UHFFFAOYSA-N
MW476.88 g/mol
LogP6.77
Rot. Bonds5

About N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide

N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide (PubChem CID 20524556) has the molecular formula C24H20ClF3N2O3 and a molecular weight of 476.88 g/mol. Its IUPAC name is N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
PubChem CID20524556
Molecular FormulaC24H20ClF3N2O3
Molecular Weight476.88 g/mol
Exact Mass476.11
IUPAC NameN-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(OC(C)c2ccc(Cl)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H20ClF3N2O3/c1-14-5-3-4-6-19(14)22(31)30-23(32)29-18-11-12-21(20(13-18)24(26,27)28)33-15(2)16-7-9-17(25)10-8-16/h3-13,15H,1-2H3,(H2,29,30,31,32)
InChIKeyPCLSNRCDAXXCGM-UHFFFAOYSA-N
XLogP6.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.88
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide
CID 70575711
2-methyl-N-[[4-(1-phenoxyethyl)phenyl]carbamoyl]benzamide
CID 70577786
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide
CID 20524484
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide
CID 20524365
N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide
CID 20524384
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-methylbenzamide
CID 886248
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645063
2-methyl-N-[[4-(1-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524502

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide?
The IUPAC name of N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide (CID 20524556) is N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(=O)Nc1ccc(OC(C)c2ccc(Cl)cc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide?
The InChIKey is PCLSNRCDAXXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O3/c1-14-5-3-4-6-19(14)22(31)30-23(32)29-18-11-12-21(20(13-18)24(26,27)28)33-15(2)16-7-9-17(25)10-8-16/h3-13,15H,1-2H3,(H2,29,30,31,32).
What are the key properties of N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide?
N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide has a molecular weight of 476.88 g/mol, XLogP of 6.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide is sourced from PubChem (CID 20524556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).