N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide

C13H14ClF3N2O3 — CID 143527563

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide
SMILESCCC(=O)N(C(=O)NCCO)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O3/c1-2-11(21)19(12(22)18-5-6-20)8-3-4-10(14)9(7-8)13(15,16)17/h3-4,7,20H,2,5-6H2,1H3,(H,18,22)
InChIKeyBNDXWFXDUFAFFE-UHFFFAOYSA-N
MW338.71 g/mol
LogP2.80
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide (PubChem CID 143527563) has the molecular formula C13H14ClF3N2O3 and a molecular weight of 338.71 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide
PubChem CID143527563
Molecular FormulaC13H14ClF3N2O3
Molecular Weight338.71 g/mol
Exact Mass338.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide
SMILESCCC(=O)N(C(=O)NCCO)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O3/c1-2-11(21)19(12(22)18-5-6-20)8-3-4-10(14)9(7-8)13(15,16)17/h3-4,7,20H,2,5-6H2,1H3,(H,18,22)
InChIKeyBNDXWFXDUFAFFE-UHFFFAOYSA-N
XLogP2.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 146350646
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78783054
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063486
2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 113179265
(2R)-2-[[2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetyl]-benzylamino]-N-propylbutanamide
CID 100537683
2-[[2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetyl]-benzylamino]-N-propylbutanamide
CID 132696183
(2S)-2-[[2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100559006
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
CID 108515808
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
methyl 2-[4-chloro-N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 100503773
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132674576
2-[[2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 132697526

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide (CID 143527563) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide is CCC(=O)N(C(=O)NCCO)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide?
The InChIKey is BNDXWFXDUFAFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3/c1-2-11(21)19(12(22)18-5-6-20)8-3-4-10(14)9(7-8)13(15,16)17/h3-4,7,20H,2,5-6H2,1H3,(H,18,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide has a molecular weight of 338.71 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide is sourced from PubChem (CID 143527563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).