2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C18H18F3N3O2 — CID 8596621

IUPAC2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)12-23-17(26)24-15(25)11-22-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16,22H,11-12H2,(H2,23,24,25,26)
InChIKeyDCVMPDCFFSAHFU-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.75
Rot. Bonds6

About 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 8596621) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID8596621
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CNC(c1ccccc1)c1ccccc1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)12-23-17(26)24-15(25)11-22-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16,22H,11-12H2,(H2,23,24,25,26)
InChIKeyDCVMPDCFFSAHFU-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8641468
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8756496
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 41397473
2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8545632
[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
CID 8756495
2-[[2-(benzhydrylamino)acetyl]amino]acetamide
CID 8596592
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391859
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9393079

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 8596621) is 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CNC(c1ccccc1)c1ccccc1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is DCVMPDCFFSAHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)12-23-17(26)24-15(25)11-22-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16,22H,11-12H2,(H2,23,24,25,26).
What are the key properties of 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 365.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 8596621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).