N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide

C19H19F3N4O3 — CID 121062071

IUPACN-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O3/c1-12(27)23-10-11-24-17(28)13-6-8-14(9-7-13)25-18(29)26-16-5-3-2-4-15(16)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyCNIKFZBKAAQTTD-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.22
Rot. Bonds6

About N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide

N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 121062071) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID121062071
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC NameN-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O3/c1-12(27)23-10-11-24-17(28)13-6-8-14(9-7-13)25-18(29)26-16-5-3-2-4-15(16)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyCNIKFZBKAAQTTD-UHFFFAOYSA-N
XLogP3.22
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethylpropanoylamino)-N-[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
CID 121063372
N-(2-acetamidoethyl)-4-[(3,5-dimethylphenyl)carbamoylamino]benzamide
CID 121062212
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
CID 17180735
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
CID 121062109
N-butyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 139036224
2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-(2-acetamidoethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 30598296
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 121062071) is N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide is CC(=O)NCCNC(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is CNIKFZBKAAQTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-12(27)23-10-11-24-17(28)13-6-8-14(9-7-13)25-18(29)26-16-5-3-2-4-15(16)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29).
What are the key properties of N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 408.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 121062071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).