4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide

C10H10F3N3O2 — CID 47137889

IUPAC4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)5-15-8(17)6-1-3-7(4-2-6)16-9(14)18/h1-4H,5H2,(H,15,17)(H3,14,16,18)
InChIKeyCXATYBVLDRPRRN-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.47
Rot. Bonds3

About 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide

4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 47137889) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID47137889
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)5-15-8(17)6-1-3-7(4-2-6)16-9(14)18/h1-4H,5H2,(H,15,17)(H3,14,16,18)
InChIKeyCXATYBVLDRPRRN-UHFFFAOYSA-N
XLogP1.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 119290874
4-(3-methylbut-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 30822215
4-(7-aminoheptanoylamino)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726154
4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 178030416
4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 119726163
4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726182
4-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoylamino]butanoic acid
CID 122075740
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060
4-[[2-(4-phenylphenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803416
3-amino-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726164

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 47137889) is 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide is NC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is CXATYBVLDRPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)5-15-8(17)6-1-3-7(4-2-6)16-9(14)18/h1-4H,5H2,(H,15,17)(H3,14,16,18).
What are the key properties of 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 261.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 47137889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).