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

C19H21F2N3O2 — CID 131636002

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2c(F)cccc2F)ccc1C1CNNC1
InChIInChI=1S/C19H21F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)12-6-7-14(17(8-12)26-2)13-9-22-23-10-13/h3-8,11,13,22-23H,9-10H2,1-2H3,(H,24,25)
InChIKeyQKGMROBQACSIKE-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.66
Rot. Bonds5

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

N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636002) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131636002
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2c(F)cccc2F)ccc1C1CNNC1
InChIInChI=1S/C19H21F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)12-6-7-14(17(8-12)26-2)13-9-22-23-10-13/h3-8,11,13,22-23H,9-10H2,1-2H3,(H,24,25)
InChIKeyQKGMROBQACSIKE-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
CID 131635924
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635906
N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635882
N-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636065
3-chloro-N-[(1S)-1-(2,6-difluorophenyl)-2-hydroxyethyl]-4-pyrazolidin-4-ylbenzamide
CID 131636044
4-bromo-N-[(1S)-1-(2,6-difluorophenyl)-2-oxoethyl]-3-methoxybenzamide
CID 90375275
3-bromo-N-[1-(2,6-difluorophenyl)ethyl]-4-methylbenzamide
CID 81457778
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 103754324
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131636002) is N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NC(C)c2c(F)cccc2F)ccc1C1CNNC1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is QKGMROBQACSIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-11(18-15(20)4-3-5-16(18)21)24-19(25)12-6-7-14(17(8-12)26-2)13-9-22-23-10-13/h3-8,11,13,22-23H,9-10H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 361.39 g/mol, XLogP of 2.66, 5 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)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).