2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide

C11H12ClF3N2O2 — CID 70925766

IUPAC2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide
SMILESNC(CO)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H12ClF3N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)4-17-10(19)9(16)5-18/h1-3,9,18H,4-5,16H2,(H,17,19)
InChIKeyOOBZCKKRVUYTMC-UHFFFAOYSA-N
MW296.68 g/mol
LogP1.29
Rot. Bonds4

About 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide

2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide (PubChem CID 70925766) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide
PubChem CID70925766
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide
SMILESNC(CO)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H12ClF3N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)4-17-10(19)9(16)5-18/h1-3,9,18H,4-5,16H2,(H,17,19)
InChIKeyOOBZCKKRVUYTMC-UHFFFAOYSA-N
XLogP1.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2,2-dimethylpropyl)urea
CID 147285009
2-amino-3-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 115179814
3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 111448608
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115179889
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 123282464
(2R)-2-amino-N-[[4-(4-aminophenyl)phenyl]methyl]-3-hydroxypropanamide
CID 142480000
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
N-benzyl-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 16514506
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(3,4-difluorophenyl)prop-2-enamide
CID 123973637
cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
CID 143080621

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide (CID 70925766) is 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide is NC(CO)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide?
The InChIKey is OOBZCKKRVUYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c12-8-2-1-6(3-7(8)11(13,14)15)4-17-10(19)9(16)5-18/h1-3,9,18H,4-5,16H2,(H,17,19).
What are the key properties of 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide?
2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide has a molecular weight of 296.68 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide is sourced from PubChem (CID 70925766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).