N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide

C14H11Cl2F3N4O2S — CID 78875068

IUPACN-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H11Cl2F3N4O2S/c1-23(5-11(24)20-7-2-3-8(15)9(16)4-7)13(25)22-12-21-10(6-26-12)14(17,18)19/h2-4,6H,5H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyXPTBBPCBCFXBGI-UHFFFAOYSA-N
MW427.24 g/mol
LogP4.57
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide

N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide (PubChem CID 78875068) has the molecular formula C14H11Cl2F3N4O2S and a molecular weight of 427.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide
PubChem CID78875068
Molecular FormulaC14H11Cl2F3N4O2S
Molecular Weight427.24 g/mol
Exact Mass425.99
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H11Cl2F3N4O2S/c1-23(5-11(24)20-7-2-3-8(15)9(16)4-7)13(25)22-12-21-10(6-26-12)14(17,18)19/h2-4,6H,5H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyXPTBBPCBCFXBGI-UHFFFAOYSA-N
XLogP4.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 30260232
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
CID 55432424
5-bromo-N-methyl-N-[2-oxo-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 78897648
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40604160
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide (CID 78875068) is N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide?
The InChIKey is XPTBBPCBCFXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N4O2S/c1-23(5-11(24)20-7-2-3-8(15)9(16)4-7)13(25)22-12-21-10(6-26-12)14(17,18)19/h2-4,6H,5H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide has a molecular weight of 427.24 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]amino]acetamide is sourced from PubChem (CID 78875068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).