2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide

C17H15Cl2F2N3O2 — CID 47045808

IUPAC2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CNC(=O)NCCc1cccc(Cl)c1Cl)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15Cl2F2N3O2/c18-12-3-1-2-10(16(12)19)6-7-22-17(26)23-9-15(25)24-11-4-5-13(20)14(21)8-11/h1-5,8H,6-7,9H2,(H,24,25)(H2,22,23,26)
InChIKeyUOICNUQIDJEURU-UHFFFAOYSA-N
MW402.23 g/mol
LogP3.75
Rot. Bonds6

About 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide

2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 47045808) has the molecular formula C17H15Cl2F2N3O2 and a molecular weight of 402.23 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide
PubChem CID47045808
Molecular FormulaC17H15Cl2F2N3O2
Molecular Weight402.23 g/mol
Exact Mass401.05
IUPAC Name2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CNC(=O)NCCc1cccc(Cl)c1Cl)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15Cl2F2N3O2/c18-12-3-1-2-10(16(12)19)6-7-22-17(26)23-9-15(25)24-11-4-5-13(20)14(21)8-11/h1-5,8H,6-7,9H2,(H,24,25)(H2,22,23,26)
InChIKeyUOICNUQIDJEURU-UHFFFAOYSA-N
XLogP3.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 55473015
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007151
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000189
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
N'-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)oxamide
CID 108987778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide (CID 47045808) is 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide is O=C(CNC(=O)NCCc1cccc(Cl)c1Cl)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is UOICNUQIDJEURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F2N3O2/c18-12-3-1-2-10(16(12)19)6-7-22-17(26)23-9-15(25)24-11-4-5-13(20)14(21)8-11/h1-5,8H,6-7,9H2,(H,24,25)(H2,22,23,26).
What are the key properties of 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide?
2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 402.23 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichlorophenyl)ethylcarbamoylamino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 47045808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).