N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide

C18H18ClF3N2O2 — CID 97455869

IUPACN-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)c([C@@H](O)c2ccccc2)c1Cl
InChIInChI=1S/C18H18ClF3N2O2/c1-17(2,3)16(26)24-15-13(19)12(11(9-23-15)18(20,21)22)14(25)10-7-5-4-6-8-10/h4-9,14,25H,1-3H3,(H,23,24,26)/t14-/m0/s1
InChIKeyCLFAWDNCFYVSSA-AWEZNQCLSA-N
MW386.80 g/mol
LogP4.82
Rot. Bonds3

About N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 97455869) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID97455869
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC NameN-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)c([C@@H](O)c2ccccc2)c1Cl
InChIInChI=1S/C18H18ClF3N2O2/c1-17(2,3)16(26)24-15-13(19)12(11(9-23-15)18(20,21)22)14(25)10-7-5-4-6-8-10/h4-9,14,25H,1-3H3,(H,23,24,26)/t14-/m0/s1
InChIKeyCLFAWDNCFYVSSA-AWEZNQCLSA-N
XLogP4.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide
CID 10337037
N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 11140927
(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
CID 98619139
[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]carbamic acid
CID 90330798
[5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol
CID 102368273
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
CID 163353879
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118812541
2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide
CID 177388876
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 97455869) is N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)c([C@@H](O)c2ccccc2)c1Cl.
What is the InChIKey of N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is CLFAWDNCFYVSSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-17(2,3)16(26)24-15-13(19)12(11(9-23-15)18(20,21)22)14(25)10-7-5-4-6-8-10/h4-9,14,25H,1-3H3,(H,23,24,26)/t14-/m0/s1.
What are the key properties of N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 386.80 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(S)-hydroxy(phenyl)methyl]-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 97455869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).