N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide

C12H16F2N2O — CID 120651737

IUPACN-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O/c1-3-15-8(2)7-16-12(17)10-6-9(13)4-5-11(10)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyZHQNEEVLCOGLFQ-MRVPVSSYSA-N
MW242.27 g/mol
LogP1.69
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide

N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide (PubChem CID 120651737) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
PubChem CID120651737
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O/c1-3-15-8(2)7-16-12(17)10-6-9(13)4-5-11(10)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyZHQNEEVLCOGLFQ-MRVPVSSYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
CID 120652149
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide (CID 120651737) is N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide is CCN[C@H](C)CNC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide?
The InChIKey is ZHQNEEVLCOGLFQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-15-8(2)7-16-12(17)10-6-9(13)4-5-11(10)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide?
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide is sourced from PubChem (CID 120651737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).