N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide

C16H11Cl2F4N3O2 — CID 60598073

IUPACN-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)c(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl2F4N3O2/c17-8-1-3-11(18)13(5-8)25-14(26)7-23-15(27)24-9-2-4-12(19)10(6-9)16(20,21)22/h1-6H,7H2,(H,25,26)(H2,23,24,27)
InChIKeySKARLVYEBOGFDS-UHFFFAOYSA-N
MW424.18 g/mol
LogP4.91
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide

N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide (PubChem CID 60598073) has the molecular formula C16H11Cl2F4N3O2 and a molecular weight of 424.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
PubChem CID60598073
Molecular FormulaC16H11Cl2F4N3O2
Molecular Weight424.18 g/mol
Exact Mass423.02
IUPAC NameN-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1ccc(F)c(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl2F4N3O2/c17-8-1-3-11(18)13(5-8)25-14(26)7-23-15(27)24-9-2-4-12(19)10(6-9)16(20,21)22/h1-6H,7H2,(H,25,26)(H2,23,24,27)
InChIKeySKARLVYEBOGFDS-UHFFFAOYSA-N
XLogP4.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.18
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
CID 84515951
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1055725
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 61227663
2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60598074
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
CID 60597825
2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 55473015
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825
N-(2,5-dichlorophenyl)-2-(naphthalen-1-ylcarbamoylamino)acetamide
CID 24616453

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide (CID 60598073) is N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide is O=C(CNC(=O)Nc1ccc(F)c(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
The InChIKey is SKARLVYEBOGFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F4N3O2/c17-8-1-3-11(18)13(5-8)25-14(26)7-23-15(27)24-9-2-4-12(19)10(6-9)16(20,21)22/h1-6H,7H2,(H,25,26)(H2,23,24,27).
What are the key properties of N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide?
N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide has a molecular weight of 424.18 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 60598073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).