3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide

C18H21N3O2 — CID 74640579

IUPAC3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
SMILESCCOc1cccc(C(=O)NC2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C18H21N3O2/c1-2-23-15-10-6-9-14(11-15)18(22)19-17-12-16(20-21-17)13-7-4-3-5-8-13/h3-11,16-17,20-21H,2,12H2,1H3,(H,19,22)
InChIKeyFQLSSWICDPNKGO-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.38
Rot. Bonds5

About 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide

3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide (PubChem CID 74640579) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
PubChem CID74640579
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
SMILESCCOc1cccc(C(=O)NC2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C18H21N3O2/c1-2-23-15-10-6-9-14(11-15)18(22)19-17-12-16(20-21-17)13-7-4-3-5-8-13/h3-11,16-17,20-21H,2,12H2,1H3,(H,19,22)
InChIKeyFQLSSWICDPNKGO-UHFFFAOYSA-N
XLogP2.38
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
(1S,2S,3R,4S)-3-[[(3-ethoxybenzoyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98289479
(1S,2S,3R,4R)-3-[[(3-ethoxybenzoyl)amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 26857033
bromobenzene;3-ethoxybenzoic acid
CID 174626248
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270504
3-ethoxy-N'-phenylsulfanylbenzohydrazide
CID 155393059
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide?
The IUPAC name of 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide (CID 74640579) is 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide?
The canonical SMILES for 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide is CCOc1cccc(C(=O)NC2CC(c3ccccc3)NN2)c1.
What is the InChIKey of 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide?
The InChIKey is FQLSSWICDPNKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-23-15-10-6-9-14(11-15)18(22)19-17-12-16(20-21-17)13-7-4-3-5-8-13/h3-11,16-17,20-21H,2,12H2,1H3,(H,19,22).
What are the key properties of 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide?
3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide is sourced from PubChem (CID 74640579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).