N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide

C15H22ClFN2O2 — CID 62015284

IUPACN-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
SMILESCCC(CC)N(CCO)CC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H22ClFN2O2/c1-3-12(4-2)19(7-8-20)10-15(21)18-14-6-5-11(17)9-13(14)16/h5-6,9,12,20H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyWUZHOKRUDSROMX-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.90
Rot. Bonds8

About N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide

N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide (PubChem CID 62015284) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
PubChem CID62015284
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
SMILESCCC(CC)N(CCO)CC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H22ClFN2O2/c1-3-12(4-2)19(7-8-20)10-15(21)18-14-6-5-11(17)9-13(14)16/h5-6,9,12,20H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyWUZHOKRUDSROMX-UHFFFAOYSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62014688
2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913739
N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide
CID 129381682
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
N-(2-amino-4-fluorophenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269222
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
5-(2-chloro-4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62964348
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43611926
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 116652730

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide (CID 62015284) is N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide is CCC(CC)N(CCO)CC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide?
The InChIKey is WUZHOKRUDSROMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O2/c1-3-12(4-2)19(7-8-20)10-15(21)18-14-6-5-11(17)9-13(14)16/h5-6,9,12,20H,3-4,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide has a molecular weight of 316.80 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide is sourced from PubChem (CID 62015284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).