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

C18H19Cl2N3O2 — CID 131635955

IUPACN-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1C1CNNC1
InChIInChI=1S/C18H19Cl2N3O2/c1-25-17-6-11(3-5-15(17)13-9-22-23-10-13)18(24)21-8-12-2-4-14(19)7-16(12)20/h2-7,13,22-23H,8-10H2,1H3,(H,21,24)
InChIKeyHGTCBZWLJTVCML-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.12
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635955) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635955
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1C1CNNC1
InChIInChI=1S/C18H19Cl2N3O2/c1-25-17-6-11(3-5-15(17)13-9-22-23-10-13)18(24)21-8-12-2-4-14(19)7-16(12)20/h2-7,13,22-23H,8-10H2,1H3,(H,21,24)
InChIKeyHGTCBZWLJTVCML-UHFFFAOYSA-N
XLogP3.12
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635955) is N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1C1CNNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is HGTCBZWLJTVCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-25-17-6-11(3-5-15(17)13-9-22-23-10-13)18(24)21-8-12-2-4-14(19)7-16(12)20/h2-7,13,22-23H,8-10H2,1H3,(H,21,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 380.28 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).