2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide

C20H22FN5O2 — CID 71943301

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C20H22FN5O2/c1-2-3-18(25-20(28)22-11-13-4-6-15(21)7-5-13)19(27)24-16-8-9-17-14(10-16)12-23-26-17/h4-10,12,18H,2-3,11H2,1H3,(H,23,26)(H,24,27)(H2,22,25,28)
InChIKeyYYXOMNRQUPZEAO-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.31
Rot. Bonds7

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide (PubChem CID 71943301) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide
PubChem CID71943301
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C20H22FN5O2/c1-2-3-18(25-20(28)22-11-13-4-6-15(21)7-5-13)19(27)24-16-8-9-17-14(10-16)12-23-26-17/h4-10,12,18H,2-3,11H2,1H3,(H,23,26)(H,24,27)(H2,22,25,28)
InChIKeyYYXOMNRQUPZEAO-UHFFFAOYSA-N
XLogP3.31
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 41181659
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55541822
methyl 2-chloro-5-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate
CID 55556722
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide
CID 24634494
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 55679433
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 43066891
2-[(4-bromophenyl)methylcarbamoylamino]-N-(2-tert-butyl-3H-benzimidazol-5-yl)pentanamide
CID 166391911
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide (CID 71943301) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide?
The InChIKey is YYXOMNRQUPZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-2-3-18(25-20(28)22-11-13-4-6-15(21)7-5-13)19(27)24-16-8-9-17-14(10-16)12-23-26-17/h4-10,12,18H,2-3,11H2,1H3,(H,23,26)(H,24,27)(H2,22,25,28).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide has a molecular weight of 383.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide is sourced from PubChem (CID 71943301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).