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

C14H15BrN4O2 — CID 103856534

IUPAC3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(Br)c1)c1cn[nH]c1
InChIInChI=1S/C14H15BrN4O2/c1-9(11-6-17-18-7-11)19-13(20)8-16-14(21)10-3-2-4-12(15)5-10/h2-7,9H,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyYGVFJGHGJPXPNR-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.78
Rot. Bonds5

About 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide

3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide (PubChem CID 103856534) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide
PubChem CID103856534
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(Br)c1)c1cn[nH]c1
InChIInChI=1S/C14H15BrN4O2/c1-9(11-6-17-18-7-11)19-13(20)8-16-14(21)10-3-2-4-12(15)5-10/h2-7,9H,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyYGVFJGHGJPXPNR-UHFFFAOYSA-N
XLogP1.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
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3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217820
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide (CID 103856534) is 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide is CC(NC(=O)CNC(=O)c1cccc(Br)c1)c1cn[nH]c1.
What is the InChIKey of 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide?
The InChIKey is YGVFJGHGJPXPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-9(11-6-17-18-7-11)19-13(20)8-16-14(21)10-3-2-4-12(15)5-10/h2-7,9H,8H2,1H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide?
3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide has a molecular weight of 351.20 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 103856534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).