4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide

C18H15BrN4O2 — CID 55995142

IUPAC4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H15BrN4O2/c19-14-5-1-13(2-6-14)18(25)20-11-17(24)22-15-7-3-12(4-8-15)16-9-10-21-23-16/h1-10H,11H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyYAKJLFVXQWPEEO-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.21
Rot. Bonds5

About 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide

4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide (PubChem CID 55995142) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
PubChem CID55995142
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H15BrN4O2/c19-14-5-1-13(2-6-14)18(25)20-11-17(24)22-15-7-3-12(4-8-15)16-9-10-21-23-16/h1-10H,11H2,(H,20,25)(H,21,23)(H,22,24)
InChIKeyYAKJLFVXQWPEEO-UHFFFAOYSA-N
XLogP3.21
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55579201
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
4-[2-(aminomethyl)phenyl]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 142065385
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924427
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
5-(4-bromophenyl)-1H-pyrazole
CID 2735614
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide (CID 55995142) is 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide?
The InChIKey is YAKJLFVXQWPEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c19-14-5-1-13(2-6-14)18(25)20-11-17(24)22-15-7-3-12(4-8-15)16-9-10-21-23-16/h1-10H,11H2,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide?
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide has a molecular weight of 399.25 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide is sourced from PubChem (CID 55995142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).