N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide

C14H18F2N2O3 — CID 107482734

IUPACN-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C14H18F2N2O3/c15-12(16)10-18(8-9-19)13(20)6-7-17-14(21)11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,17,21)
InChIKeyVIVLOJFSIIHSJM-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.89
Rot. Bonds8

About N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide

N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide (PubChem CID 107482734) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
PubChem CID107482734
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC NameN-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C14H18F2N2O3/c15-12(16)10-18(8-9-19)13(20)6-7-17-14(21)11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,17,21)
InChIKeyVIVLOJFSIIHSJM-UHFFFAOYSA-N
XLogP0.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 107479272
N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide
CID 61038662
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479341
4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 78796540
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-phenylacetic acid
CID 107481648
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486304
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide (CID 107482734) is N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide is O=C(NCCC(=O)N(CCO)CC(F)F)c1ccccc1.
What is the InChIKey of N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide?
The InChIKey is VIVLOJFSIIHSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c15-12(16)10-18(8-9-19)13(20)6-7-17-14(21)11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,17,21).
What are the key properties of N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide?
N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide has a molecular weight of 300.30 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 107482734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).