N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

C16H19ClF3N3O3 — CID 139268562

IUPACN-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@](C)(CO)c2ccc(C(F)(F)F)cc2Cl)N1
InChIInChI=1S/C16H19ClF3N3O3/c1-8-21-12(6-13(25)22-8)14(26)23-15(2,7-24)10-4-3-9(5-11(10)17)16(18,19)20/h3-5,8,12,21,24H,6-7H2,1-2H3,(H,22,25)(H,23,26)/t8?,12?,15-/m1/s1
InChIKeyDPXAIDJADDYEAH-MNTKGVNXSA-N
MW393.79 g/mol
LogP1.51
Rot. Bonds4

About N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268562) has the molecular formula C16H19ClF3N3O3 and a molecular weight of 393.79 g/mol. Its IUPAC name is N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268562
Molecular FormulaC16H19ClF3N3O3
Molecular Weight393.79 g/mol
Exact Mass393.11
IUPAC NameN-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@](C)(CO)c2ccc(C(F)(F)F)cc2Cl)N1
InChIInChI=1S/C16H19ClF3N3O3/c1-8-21-12(6-13(25)22-8)14(26)23-15(2,7-24)10-4-3-9(5-11(10)17)16(18,19)20/h3-5,8,12,21,24H,6-7H2,1-2H3,(H,22,25)(H,23,26)/t8?,12?,15-/m1/s1
InChIKeyDPXAIDJADDYEAH-MNTKGVNXSA-N
XLogP1.51
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide 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

N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268559
N-[(2R)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162894
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268164
N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139267999
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 146131621
N-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268041
6-[3-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-1,2,4-triazol-5-yl]-2-methyl-1,3-diazinan-4-one
CID 146676798
cis-(1R,2S)-2-[[2-chloro-4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 167752634
(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
CID 99834444
N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 110445231

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139268562) is N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@](C)(CO)c2ccc(C(F)(F)F)cc2Cl)N1.
What is the InChIKey of N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is DPXAIDJADDYEAH-MNTKGVNXSA-N. The full InChI is InChI=1S/C16H19ClF3N3O3/c1-8-21-12(6-13(25)22-8)14(26)23-15(2,7-24)10-4-3-9(5-11(10)17)16(18,19)20/h3-5,8,12,21,24H,6-7H2,1-2H3,(H,22,25)(H,23,26)/t8?,12?,15-/m1/s1.
What are the key properties of N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 393.79 g/mol, XLogP of 1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).