2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C19H20F3N3O2 — CID 8641468

IUPAC2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCc1ccc([C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C19H20F3N3O2/c1-13-7-9-15(10-8-13)17(14-5-3-2-4-6-14)23-11-16(26)25-18(27)24-12-19(20,21)22/h2-10,17,23H,11-12H2,1H3,(H2,24,25,26,27)/t17-/m0/s1
InChIKeyCFRKQARJYTZXLY-KRWDZBQOSA-N
MW379.38 g/mol
LogP3.06
Rot. Bonds6

About 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 8641468) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID8641468
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCc1ccc([C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C19H20F3N3O2/c1-13-7-9-15(10-8-13)17(14-5-3-2-4-6-14)23-11-16(26)25-18(27)24-12-19(20,21)22/h2-10,17,23H,11-12H2,1H3,(H2,24,25,26,27)/t17-/m0/s1
InChIKeyCFRKQARJYTZXLY-KRWDZBQOSA-N
XLogP3.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8596621
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8756496
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9393079
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391859
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
CID 8641426
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392402
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
2-(benzhydrylamino)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 8545632
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 8641468) is 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is Cc1ccc([C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is CFRKQARJYTZXLY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-13-7-9-15(10-8-13)17(14-5-3-2-4-6-14)23-11-16(26)25-18(27)24-12-19(20,21)22/h2-10,17,23H,11-12H2,1H3,(H2,24,25,26,27)/t17-/m0/s1.
What are the key properties of 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 379.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 8641468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).