N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide

C14H17ClF2N2O3 — CID 134055274

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCO1
InChIInChI=1S/C14H17ClF2N2O3/c1-9-7-19(4-5-21-9)8-13(20)18-10-2-3-12(11(15)6-10)22-14(16)17/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyOSRHGGNEATYRLG-UHFFFAOYSA-N
MW334.75 g/mol
LogP2.60
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide (PubChem CID 134055274) has the molecular formula C14H17ClF2N2O3 and a molecular weight of 334.75 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
PubChem CID134055274
Molecular FormulaC14H17ClF2N2O3
Molecular Weight334.75 g/mol
Exact Mass334.09
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCO1
InChIInChI=1S/C14H17ClF2N2O3/c1-9-7-19(4-5-21-9)8-13(20)18-10-2-3-12(11(15)6-10)22-14(16)17/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyOSRHGGNEATYRLG-UHFFFAOYSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120951
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 55649112
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801340
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60565277
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 17024298
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 8696467
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110880942
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46643858
2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
CID 47135180

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide (CID 134055274) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCO1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide?
The InChIKey is OSRHGGNEATYRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O3/c1-9-7-19(4-5-21-9)8-13(20)18-10-2-3-12(11(15)6-10)22-14(16)17/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,18,20).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide has a molecular weight of 334.75 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide is sourced from PubChem (CID 134055274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).