2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate

C18H17F3N2O4 — CID 52730821

IUPAC2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate
SMILESO=C(CCNC(=O)OCC(F)(F)F)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H17F3N2O4/c19-18(20,21)12-26-17(25)22-11-10-16(24)23-14-8-4-5-9-15(14)27-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25)(H,23,24)
InChIKeyWCGZEOPUUALUOU-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.10
Rot. Bonds7

About 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate

2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate (PubChem CID 52730821) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate
PubChem CID52730821
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate
SMILESO=C(CCNC(=O)OCC(F)(F)F)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H17F3N2O4/c19-18(20,21)12-26-17(25)22-11-10-16(24)23-14-8-4-5-9-15(14)27-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25)(H,23,24)
InChIKeyWCGZEOPUUALUOU-UHFFFAOYSA-N
XLogP4.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
9-azido-N-(2-phenoxyphenyl)nonanamide
CID 44817919
N-(2-phenoxyphenyl)decanamide
CID 4091110
2,2,2-trifluoroethyl N-[3-oxo-3-[[(3R)-3-phenylbutyl]amino]propyl]carbamate
CID 95287422
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024062
3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
CID 109021922
2,2,2-trifluoroethyl N-[3-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]carbamate
CID 95581913

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate (CID 52730821) is 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate is O=C(CCNC(=O)OCC(F)(F)F)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate?
The InChIKey is WCGZEOPUUALUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c19-18(20,21)12-26-17(25)22-11-10-16(24)23-14-8-4-5-9-15(14)27-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25)(H,23,24).
What are the key properties of 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate?
2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate has a molecular weight of 382.34 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate is sourced from PubChem (CID 52730821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).