(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide

C19H18F3N3O3 — CID 95140593

IUPAC(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
SMILESO=C1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)28-15-8-6-14(7-9-15)24-18(27)25-11-10-23-17(26)12-16(25)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyXLCIYAADSIYHIA-MRXNPFEDSA-N
MW393.37 g/mol
LogP3.68
Rot. Bonds3

About (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide

(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide (PubChem CID 95140593) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
PubChem CID95140593
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
SMILESO=C1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)28-15-8-6-14(7-9-15)24-18(27)25-11-10-23-17(26)12-16(25)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyXLCIYAADSIYHIA-MRXNPFEDSA-N
XLogP3.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 136579285
(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide
CID 124622403
7-phenyl-1-(3,3,3-trifluoropropanoyl)-1,4-diazepan-5-one
CID 56819649
N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 102562775
(7R)-N-(2-nitrophenyl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 51961669
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
(7S)-7-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]acetyl]-1,4-diazepan-5-one
CID 94130900
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
(2S)-4-methyl-2-phenyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide
CID 8600381
(7R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]-7-phenyl-1,4-diazepan-5-one
CID 95283420

Frequently Asked Questions

What is the IUPAC name of (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide (CID 95140593) is (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide is O=C1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCN1.
What is the InChIKey of (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide?
The InChIKey is XLCIYAADSIYHIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)28-15-8-6-14(7-9-15)24-18(27)25-11-10-23-17(26)12-16(25)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide?
(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 95140593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).