N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

C20H21F2N3O2 — CID 131636020

IUPACN-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESC=CC(NC(=O)c1ccc(C2CNNC2)c(OC)c1)c1c(F)cccc1F
InChIInChI=1S/C20H21F2N3O2/c1-3-17(19-15(21)5-4-6-16(19)22)25-20(26)12-7-8-14(18(9-12)27-2)13-10-23-24-11-13/h3-9,13,17,23-24H,1,10-11H2,2H3,(H,25,26)
InChIKeyLJTFRQSBBVXHLH-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636020) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131636020
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESC=CC(NC(=O)c1ccc(C2CNNC2)c(OC)c1)c1c(F)cccc1F
InChIInChI=1S/C20H21F2N3O2/c1-3-17(19-15(21)5-4-6-16(19)22)25-20(26)12-7-8-14(18(9-12)27-2)13-10-23-24-11-13/h3-9,13,17,23-24H,1,10-11H2,2H3,(H,25,26)
InChIKeyLJTFRQSBBVXHLH-UHFFFAOYSA-N
XLogP2.82
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

PF-429242
CID 23661637
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
Veledimex
CID 57751161
N-Ethyl-4-{(3-methoxy-phenyl)-[8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-benzamide
CID 44306977
N-(2-methoxyphenethyl)-4-((diethylamino)methyl)-N-(pyrrolidin-3-yl)benzamide
CID 44433028
Methyl 2-fluoro-5-[[(3-methoxy-4-pyrazolidin-4-ylbenzoyl)amino]methyl]benzoate
CID 131635996
N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636001
2-[2-(dimethylamino)ethoxy]-5-fluoro-4-(3-methylpyrazolidin-4-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 131636121
N-[cyclopentyl(phenyl)methyl]-3-methoxybenzamide
CID 2952275
4-[(2-Dimethylamino-ethylamino)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide
CID 10762543
4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(3-methoxy-phenyl)-methyl]-N-ethyl-benzamide
CID 44306565
4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-(3-methoxy-phenyl)-methyl]-N-ethyl-benzamide
CID 44306566

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131636020) is N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is C=CC(NC(=O)c1ccc(C2CNNC2)c(OC)c1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is LJTFRQSBBVXHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-3-17(19-15(21)5-4-6-16(19)22)25-20(26)12-7-8-14(18(9-12)27-2)13-10-23-24-11-13/h3-9,13,17,23-24H,1,10-11H2,2H3,(H,25,26).
What are the key properties of N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 373.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)prop-2-enyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).