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

C19H21F2N3O2 — CID 131635931

IUPACN-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2c(F)ccc(C)c2F)ccc1C1CNNC1
InChIInChI=1S/C19H21F2N3O2/c1-11-3-6-16(20)15(18(11)21)10-22-19(25)12-4-5-14(17(7-12)26-2)13-8-23-24-9-13/h3-7,13,23-24H,8-10H2,1-2H3,(H,22,25)
InChIKeyHLLHQQHYXZLGRA-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.40
Rot. Bonds5

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

N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635931) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635931
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2c(F)ccc(C)c2F)ccc1C1CNNC1
InChIInChI=1S/C19H21F2N3O2/c1-11-3-6-16(20)15(18(11)21)10-22-19(25)12-4-5-14(17(7-12)26-2)13-8-23-24-9-13/h3-7,13,23-24H,8-10H2,1-2H3,(H,22,25)
InChIKeyHLLHQQHYXZLGRA-UHFFFAOYSA-N
XLogP2.40
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635931) is N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2c(F)ccc(C)c2F)ccc1C1CNNC1.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is HLLHQQHYXZLGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-11-3-6-16(20)15(18(11)21)10-22-19(25)12-4-5-14(17(7-12)26-2)13-8-23-24-9-13/h3-7,13,23-24H,8-10H2,1-2H3,(H,22,25).
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 361.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).