4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide

C13H17F2N3O3 — CID 107479272

IUPAC4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)N(CCO)CC(F)F)cc1
InChIInChI=1S/C13H17F2N3O3/c14-11(15)8-18(5-6-19)12(20)7-17-13(21)9-1-3-10(16)4-2-9/h1-4,11,19H,5-8,16H2,(H,17,21)
InChIKeyRCUAQXJMKWYLKD-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.08
Rot. Bonds7

About 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide

4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide (PubChem CID 107479272) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
PubChem CID107479272
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)N(CCO)CC(F)F)cc1
InChIInChI=1S/C13H17F2N3O3/c14-11(15)8-18(5-6-19)12(20)7-17-13(21)9-1-3-10(16)4-2-9/h1-4,11,19H,5-8,16H2,(H,17,21)
InChIKeyRCUAQXJMKWYLKD-UHFFFAOYSA-N
XLogP0.08
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.08
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-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 107482734
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479302
N-(2,2-difluoroethyl)-2-(ethylamino)-N-(2-hydroxyethyl)acetamide
CID 107479472
4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide
CID 106096432
4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide
CID 99699977
2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107477873
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide
CID 107477915
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
4-amino-N-[2-[2-cyanoethyl(propan-2-yl)amino]-2-oxoethyl]benzamide
CID 43579419

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide (CID 107479272) is 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide is Nc1ccc(C(=O)NCC(=O)N(CCO)CC(F)F)cc1.
What is the InChIKey of 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is RCUAQXJMKWYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c14-11(15)8-18(5-6-19)12(20)7-17-13(21)9-1-3-10(16)4-2-9/h1-4,11,19H,5-8,16H2,(H,17,21).
What are the key properties of 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide?
4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 301.29 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 107479272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).