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

C19H21F2N3O3 — CID 131635914

IUPACN-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc(F)c(OC)c2F)ccc1C1CNNC1
InChIInChI=1S/C19H21F2N3O3/c1-26-16-7-11(3-5-14(16)13-9-23-24-10-13)19(25)22-8-12-4-6-15(20)18(27-2)17(12)21/h3-7,13,23-24H,8-10H2,1-2H3,(H,22,25)
InChIKeyQMTSNKPFKHOZHR-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.10
Rot. Bonds6

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

N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635914) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635914
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc(F)c(OC)c2F)ccc1C1CNNC1
InChIInChI=1S/C19H21F2N3O3/c1-26-16-7-11(3-5-14(16)13-9-23-24-10-13)19(25)22-8-12-4-6-15(20)18(27-2)17(12)21/h3-7,13,23-24H,8-10H2,1-2H3,(H,22,25)
InChIKeyQMTSNKPFKHOZHR-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635914) is N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2ccc(F)c(OC)c2F)ccc1C1CNNC1.
What is the InChIKey of N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is QMTSNKPFKHOZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-26-16-7-11(3-5-14(16)13-9-23-24-10-13)19(25)22-8-12-4-6-15(20)18(27-2)17(12)21/h3-7,13,23-24H,8-10H2,1-2H3,(H,22,25).
What are the key properties of N-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[(2,4-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-[(2,4-difluoro-3-methoxyphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).