N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide

C23H19NO3 — CID 2457171

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide
SMILESO=C(NC[C@H]1COc2ccccc2O1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19NO3/c25-23(24-13-15-14-26-20-11-5-6-12-21(20)27-15)22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,15,22H,13-14H2,(H,24,25)/t15-/m0/s1
InChIKeyXZTYWUCHUQFIGW-HNNXBMFYSA-N
MW357.41 g/mol
LogP3.76
Rot. Bonds3

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide (PubChem CID 2457171) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide
PubChem CID2457171
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide
SMILESO=C(NC[C@H]1COc2ccccc2O1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H19NO3/c25-23(24-13-15-14-26-20-11-5-6-12-21(20)27-15)22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,15,22H,13-14H2,(H,24,25)/t15-/m0/s1
InChIKeyXZTYWUCHUQFIGW-HNNXBMFYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
trans-(1R,3R)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124769734
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60683085
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266825
(E)-4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-oxobut-2-enoic acid
CID 51680372
(2S)-2-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 51979757

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide (CID 2457171) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide is O=C(NC[C@H]1COc2ccccc2O1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide?
The InChIKey is XZTYWUCHUQFIGW-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-23(24-13-15-14-26-20-11-5-6-12-21(20)27-15)22-18-9-3-1-7-16(18)17-8-2-4-10-19(17)22/h1-12,15,22H,13-14H2,(H,24,25)/t15-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide is sourced from PubChem (CID 2457171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).