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

C12H15ClF2N2O3 — CID 78910804

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O3/c1-19-5-4-16-7-11(18)17-8-2-3-10(9(13)6-8)20-12(14)15/h2-3,6,12,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyPSEVGRVYTTVQRZ-UHFFFAOYSA-N
MW308.71 g/mol
LogP2.12
Rot. Bonds8

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

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 78910804) has the molecular formula C12H15ClF2N2O3 and a molecular weight of 308.71 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID78910804
Molecular FormulaC12H15ClF2N2O3
Molecular Weight308.71 g/mol
Exact Mass308.07
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H15ClF2N2O3/c1-19-5-4-16-7-11(18)17-8-2-3-10(9(13)6-8)20-12(14)15/h2-3,6,12,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyPSEVGRVYTTVQRZ-UHFFFAOYSA-N
XLogP2.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 75423665
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711591
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide (CID 78910804) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is PSEVGRVYTTVQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2O3/c1-19-5-4-16-7-11(18)17-8-2-3-10(9(13)6-8)20-12(14)15/h2-3,6,12,16H,4-5,7H2,1H3,(H,17,18).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 308.71 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 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-methoxyethylamino)acetamide is sourced from PubChem (CID 78910804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).