N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

C12H16ClF2N3O2 — CID 107478609

IUPACN-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESNc1cc(Cl)ccc1NC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H16ClF2N3O2/c13-8-1-2-10(9(16)5-8)17-12(20)7-18(3-4-19)6-11(14)15/h1-2,5,11,19H,3-4,6-7,16H2,(H,17,20)
InChIKeyXDRXGSNBESETHF-UHFFFAOYSA-N
MW307.73 g/mol
LogP1.42
Rot. Bonds7

About N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107478609) has the molecular formula C12H16ClF2N3O2 and a molecular weight of 307.73 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107478609
Molecular FormulaC12H16ClF2N3O2
Molecular Weight307.73 g/mol
Exact Mass307.09
IUPAC NameN-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESNc1cc(Cl)ccc1NC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C12H16ClF2N3O2/c13-8-1-2-10(9(16)5-8)17-12(20)7-18(3-4-19)6-11(14)15/h1-2,5,11,19H,3-4,6-7,16H2,(H,17,20)
InChIKeyXDRXGSNBESETHF-UHFFFAOYSA-N
XLogP1.42
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478590
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61243364
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61242990
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478853
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 107478740
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 107485723
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
2-[[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 107485683
5-chloro-N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486316

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107478609) is N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is Nc1cc(Cl)ccc1NC(=O)CN(CCO)CC(F)F.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is XDRXGSNBESETHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2N3O2/c13-8-1-2-10(9(16)5-8)17-12(20)7-18(3-4-19)6-11(14)15/h1-2,5,11,19H,3-4,6-7,16H2,(H,17,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 307.73 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107478609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).