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

C11H13ClF2N2O2 — CID 86805225

IUPACN-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C11H13ClF2N2O2/c1-16(2)6-10(17)15-7-3-4-8(12)9(5-7)18-11(13)14/h3-5,11H,6H2,1-2H3,(H,15,17)
InChIKeySHNMQODJMMQNFH-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.44
Rot. Bonds5

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

N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide (PubChem CID 86805225) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
PubChem CID86805225
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC NameN-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C11H13ClF2N2O2/c1-16(2)6-10(17)15-7-3-4-8(12)9(5-7)18-11(13)14/h3-5,11H,6H2,1-2H3,(H,15,17)
InChIKeySHNMQODJMMQNFH-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 75505419
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 16546518
2-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977324
(E)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 30254107
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
3-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089193
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 110021826
N-[4-chloro-3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75451518
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide (CID 86805225) is N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(Cl)c(OC(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide?
The InChIKey is SHNMQODJMMQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2/c1-16(2)6-10(17)15-7-3-4-8(12)9(5-7)18-11(13)14/h3-5,11H,6H2,1-2H3,(H,15,17).
What are the key properties of N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide?
N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide has a molecular weight of 278.69 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 86805225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).