N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide

C18H16BrFN4O — CID 55860000

IUPACN-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C18H16BrFN4O/c1-12-9-13(19)3-5-16(12)23-18(25)11-21-14-4-6-17(15(20)10-14)24-8-2-7-22-24/h2-10,21H,11H2,1H3,(H,23,25)
InChIKeyRSVQKAKIHBJKBB-UHFFFAOYSA-N
MW403.26 g/mol
LogP4.13
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide

N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide (PubChem CID 55860000) has the molecular formula C18H16BrFN4O and a molecular weight of 403.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide
PubChem CID55860000
Molecular FormulaC18H16BrFN4O
Molecular Weight403.26 g/mol
Exact Mass402.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C18H16BrFN4O/c1-12-9-13(19)3-5-16(12)23-18(25)11-21-14-4-6-17(15(20)10-14)24-8-2-7-22-24/h2-10,21H,11H2,1H3,(H,23,25)
InChIKeyRSVQKAKIHBJKBB-UHFFFAOYSA-N
XLogP4.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
N-(4-bromo-2-methylphenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042222
2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 37278653
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
CID 55892273
N'-(4-bromo-2-methylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956666
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
CID 133313355
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide (CID 55860000) is N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide is Cc1cc(Br)ccc1NC(=O)CNc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide?
The InChIKey is RSVQKAKIHBJKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O/c1-12-9-13(19)3-5-16(12)23-18(25)11-21-14-4-6-17(15(20)10-14)24-8-2-7-22-24/h2-10,21H,11H2,1H3,(H,23,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide?
N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide has a molecular weight of 403.26 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide is sourced from PubChem (CID 55860000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).