N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide

C17H22F3N3O2 — CID 134711635

IUPACN-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCN(CCC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)7-10-22-8-4-9-23(12-11-22)15(24)13-21-16(25)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,21,25)
InChIKeyNRCGFZCMAZIIHN-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.90
Rot. Bonds5

About N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide

N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide (PubChem CID 134711635) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide
PubChem CID134711635
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCN(CCC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)7-10-22-8-4-9-23(12-11-22)15(24)13-21-16(25)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,21,25)
InChIKeyNRCGFZCMAZIIHN-UHFFFAOYSA-N
XLogP1.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
CID 110810039
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110807089
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide (CID 134711635) is N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCCN(CCC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The InChIKey is NRCGFZCMAZIIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)7-10-22-8-4-9-23(12-11-22)15(24)13-21-16(25)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,21,25).
What are the key properties of N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide?
N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide has a molecular weight of 357.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(3,3,3-trifluoropropyl)-1,4-diazepan-1-yl]ethyl]benzamide is sourced from PubChem (CID 134711635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).