N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide

C13H16F2N2O3 — CID 103769854

IUPACN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCC(O)C(F)F
InChIInChI=1S/C13H16F2N2O3/c14-12(15)10(18)8-17-11(19)6-7-16-13(20)9-4-2-1-3-5-9/h1-5,10,12,18H,6-8H2,(H,16,20)(H,17,19)
InChIKeyAYADLVBFQWNUGE-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.55
Rot. Bonds7

About N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide

N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide (PubChem CID 103769854) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide
PubChem CID103769854
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC NameN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCC(O)C(F)F
InChIInChI=1S/C13H16F2N2O3/c14-12(15)10(18)8-17-11(19)6-7-16-13(20)9-4-2-1-3-5-9/h1-5,10,12,18H,6-8H2,(H,16,20)(H,17,19)
InChIKeyAYADLVBFQWNUGE-UHFFFAOYSA-N
XLogP0.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide (CID 103769854) is N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCC(O)C(F)F.
What is the InChIKey of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide?
The InChIKey is AYADLVBFQWNUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-12(15)10(18)8-17-11(19)6-7-16-13(20)9-4-2-1-3-5-9/h1-5,10,12,18H,6-8H2,(H,16,20)(H,17,19).
What are the key properties of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide?
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide has a molecular weight of 286.28 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 103769854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).