4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide

C18H19NO2 — CID 97272217

IUPAC4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide
SMILESNC(=O)c1ccc(C[C@H]2CCOc3ccccc3C2)cc1
InChIInChI=1S/C18H19NO2/c19-18(20)15-7-5-13(6-8-15)11-14-9-10-21-17-4-2-1-3-16(17)12-14/h1-8,14H,9-12H2,(H2,19,20)/t14-/m1/s1
InChIKeyRVJKBTAKXCAGRI-CQSZACIVSA-N
MW281.36 g/mol
LogP2.97
Rot. Bonds3

About 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide

4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide (PubChem CID 97272217) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide
PubChem CID97272217
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide
SMILESNC(=O)c1ccc(C[C@H]2CCOc3ccccc3C2)cc1
InChIInChI=1S/C18H19NO2/c19-18(20)15-7-5-13(6-8-15)11-14-9-10-21-17-4-2-1-3-16(17)12-14/h1-8,14H,9-12H2,(H2,19,20)/t14-/m1/s1
InChIKeyRVJKBTAKXCAGRI-CQSZACIVSA-N
XLogP2.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperazin-1-yl]propanamide
CID 97273648
oxalic acid;2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 118995107
4-(cyclobutylmethyl)benzamide
CID 174975666
N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide
CID 72925890
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
CID 97125876
1-[4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperazin-1-yl]ethanone
CID 97281274
N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide
CID 74242329
1-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperidin-4-amine
CID 97269079
7-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 74236452
3-(2-amino-2-oxoethoxy)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)benzamide
CID 72918967
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166613267
N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)tetrazolo[1,5-a]pyridine-7-carboxamide
CID 72933735

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide?
The IUPAC name of 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide (CID 97272217) is 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide?
The canonical SMILES for 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide is NC(=O)c1ccc(C[C@H]2CCOc3ccccc3C2)cc1.
What is the InChIKey of 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide?
The InChIKey is RVJKBTAKXCAGRI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19NO2/c19-18(20)15-7-5-13(6-8-15)11-14-9-10-21-17-4-2-1-3-16(17)12-14/h1-8,14H,9-12H2,(H2,19,20)/t14-/m1/s1.
What are the key properties of 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide?
4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide is sourced from PubChem (CID 97272217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).