N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide

C15H20F2N2O3 — CID 111483465

IUPACN-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
SMILESCCC(O)(CC)CNC(=O)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2N2O3/c1-3-15(22,4-2)9-19-13(20)8-18-14(21)10-5-11(16)7-12(17)6-10/h5-7,22H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAMJPKFQVHQSANK-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.36
Rot. Bonds7

About N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide

N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide (PubChem CID 111483465) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
PubChem CID111483465
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC NameN-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
SMILESCCC(O)(CC)CNC(=O)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2N2O3/c1-3-15(22,4-2)9-19-13(20)8-18-14(21)10-5-11(16)7-12(17)6-10/h5-7,22H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAMJPKFQVHQSANK-UHFFFAOYSA-N
XLogP1.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172560
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
CID 65108644
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide (CID 111483465) is N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide is CCC(O)(CC)CNC(=O)CNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide?
The InChIKey is AMJPKFQVHQSANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-3-15(22,4-2)9-19-13(20)8-18-14(21)10-5-11(16)7-12(17)6-10/h5-7,22H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide?
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide has a molecular weight of 314.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 111483465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).