N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide

C24H13Cl3F6N4O4 — CID 142632390

IUPACN-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide
SMILESNC(=O)N(C(=O)c1ccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C24H13Cl3F6N4O4/c25-14-2-1-3-15(26)17(14)19(38)36-22(41)35-12-6-4-10(5-7-12)20(39)37(21(34)40)16-9-11(23(28,29)30)8-13(18(16)27)24(31,32)33/h1-9H,(H2,34,40)(H2,35,36,38,41)
InChIKeyOEAASJAUWBUNAJ-UHFFFAOYSA-N
MW641.74 g/mol
LogP7.37
Rot. Bonds4

About N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide

N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide (PubChem CID 142632390) has the molecular formula C24H13Cl3F6N4O4 and a molecular weight of 641.74 g/mol. Its IUPAC name is N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide
PubChem CID142632390
Molecular FormulaC24H13Cl3F6N4O4
Molecular Weight641.74 g/mol
Exact Mass639.99
IUPAC NameN-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide
SMILESNC(=O)N(C(=O)c1ccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C24H13Cl3F6N4O4/c25-14-2-1-3-15(26)17(14)19(38)36-22(41)35-12-6-4-10(5-7-12)20(39)37(21(34)40)16-9-11(23(28,29)30)8-13(18(16)27)24(31,32)33/h1-9H,(H2,34,40)(H2,35,36,38,41)
InChIKeyOEAASJAUWBUNAJ-UHFFFAOYSA-N
XLogP7.37
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.74
LogP ≤ 57.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide with MolForge

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Related Compounds

2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 142626372
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912749
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
CID 19006403
[3,5-bis(trifluoromethyl)phenyl] N-(2,6-dichlorobenzoyl)carbamate
CID 2798658
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
2,6-dichloro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 139070486

Frequently Asked Questions

What is the IUPAC name of N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide (CID 142632390) is N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide is NC(=O)N(C(=O)c1ccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide?
The InChIKey is OEAASJAUWBUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl3F6N4O4/c25-14-2-1-3-15(26)17(14)19(38)36-22(41)35-12-6-4-10(5-7-12)20(39)37(21(34)40)16-9-11(23(28,29)30)8-13(18(16)27)24(31,32)33/h1-9H,(H2,34,40)(H2,35,36,38,41).
What are the key properties of N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide?
N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide has a molecular weight of 641.74 g/mol, XLogP of 7.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[carbamoyl-[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 142632390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).