N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide

C17H19F4N3O3 — CID 174506599

IUPACN-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(C2NCCO2)cc1F
InChIInChI=1S/C17H19F4N3O3/c1-9(11-3-2-10(8-12(11)18)13-22-6-7-27-13)23-14(25)16(4-5-16)24-15(26)17(19,20)21/h2-3,8-9,13,22H,4-7H2,1H3,(H,23,25)(H,24,26)/t9-,13?/m1/s1
InChIKeyHSFWVIISFNIGRS-CGCSKFHYSA-N
MW389.35 g/mol
LogP1.83
Rot. Bonds5

About N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide

N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide (PubChem CID 174506599) has the molecular formula C17H19F4N3O3 and a molecular weight of 389.35 g/mol. Its IUPAC name is N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
PubChem CID174506599
Molecular FormulaC17H19F4N3O3
Molecular Weight389.35 g/mol
Exact Mass389.14
IUPAC NameN-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(C2NCCO2)cc1F
InChIInChI=1S/C17H19F4N3O3/c1-9(11-3-2-10(8-12(11)18)13-22-6-7-27-13)23-14(25)16(4-5-16)24-15(26)17(19,20)21/h2-3,8-9,13,22H,4-7H2,1H3,(H,23,25)(H,24,26)/t9-,13?/m1/s1
InChIKeyHSFWVIISFNIGRS-CGCSKFHYSA-N
XLogP1.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate;molecular hydrogen
CID 158633917
(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983
N-[(1R)-1-[4-[5-chloro-3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]-2-fluorophenyl]ethyl]-3-[(2,2,2-trifluoroacetyl)amino]oxetane-3-carboxamide
CID 57382922
3-cyano-N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)benzamide
CID 71025757
N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686288
N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 71025754
1-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115452365
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2,3-difluorophenyl]ethyl]carbamoyl]cyclopropyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 42605950
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-4-yl)acetamide
CID 177351833
N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 63139722
1-[1-(2,4-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924294

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?
The IUPAC name of N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide (CID 174506599) is N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(C2NCCO2)cc1F.
What is the InChIKey of N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?
The InChIKey is HSFWVIISFNIGRS-CGCSKFHYSA-N. The full InChI is InChI=1S/C17H19F4N3O3/c1-9(11-3-2-10(8-12(11)18)13-22-6-7-27-13)23-14(25)16(4-5-16)24-15(26)17(19,20)21/h2-3,8-9,13,22H,4-7H2,1H3,(H,23,25)(H,24,26)/t9-,13?/m1/s1.
What are the key properties of N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?
N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide has a molecular weight of 389.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-fluoro-4-(1,3-oxazolidin-2-yl)phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 174506599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).