N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

C19H21F2N3O3 — CID 131635915

IUPACN-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2c(F)ccc(OC)c2F)ccc1C1CNNC1
InChIInChI=1S/C19H21F2N3O3/c1-26-16-6-5-15(20)14(18(16)21)10-22-19(25)11-3-4-13(17(7-11)27-2)12-8-23-24-9-12/h3-7,12,23-24H,8-10H2,1-2H3,(H,22,25)
InChIKeyHHTVOCWCHIKQGX-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.10
Rot. Bonds6

About N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635915) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635915
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2c(F)ccc(OC)c2F)ccc1C1CNNC1
InChIInChI=1S/C19H21F2N3O3/c1-26-16-6-5-15(20)14(18(16)21)10-22-19(25)11-3-4-13(17(7-11)27-2)12-8-23-24-9-12/h3-7,12,23-24H,8-10H2,1-2H3,(H,22,25)
InChIKeyHHTVOCWCHIKQGX-UHFFFAOYSA-N
XLogP2.10
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

PF-429242
CID 23661637
N-[3-(benzylmethylamino)propyl]-3-methoxybenzamide
CID 18118654
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
3-methoxy-N,4-dimethyl-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-4-piperidinyl)methyl]benzamide
CID 23723628
4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(3-methoxy-phenyl)-methyl]-N-ethyl-benzamide
CID 44306565
(S)-4-((Diethylamino)methyl)-N-(2-methoxyphenethyl)-N-(pyrrolidin-3-YL)benzamide
CID 44433055
N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride
CID 45262478
N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45489246

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635915) is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2c(F)ccc(OC)c2F)ccc1C1CNNC1.
What is the InChIKey of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is HHTVOCWCHIKQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-26-16-6-5-15(20)14(18(16)21)10-22-19(25)11-3-4-13(17(7-11)27-2)12-8-23-24-9-12/h3-7,12,23-24H,8-10H2,1-2H3,(H,22,25).
What are the key properties of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 377.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).