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

C16H13Cl2F2N3O2 — CID 55432424

IUPACN-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13Cl2F2N3O2/c1-23(16(25)22-14-5-2-9(19)6-13(14)20)8-15(24)21-10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyNPJFZQWWIJDRFW-UHFFFAOYSA-N
MW388.20 g/mol
LogP4.37
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide (PubChem CID 55432424) has the molecular formula C16H13Cl2F2N3O2 and a molecular weight of 388.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
PubChem CID55432424
Molecular FormulaC16H13Cl2F2N3O2
Molecular Weight388.20 g/mol
Exact Mass387.04
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13Cl2F2N3O2/c1-23(16(25)22-14-5-2-9(19)6-13(14)20)8-15(24)21-10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyNPJFZQWWIJDRFW-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
CID 60599190
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N-(3,4-dichlorophenyl)-2-[[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 41230794
2-N-(3,4-dichlorophenyl)-1-N-(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144113
N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide
CID 78875068
N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 78787930
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 29359193
N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide
CID 55743155
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide (CID 55432424) is N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide?
The InChIKey is NPJFZQWWIJDRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2N3O2/c1-23(16(25)22-14-5-2-9(19)6-13(14)20)8-15(24)21-10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide has a molecular weight of 388.20 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide is sourced from PubChem (CID 55432424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).