2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide

C12H15BrN4O — CID 2316407

IUPAC2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
SMILESO=C(CNc1ccc(Br)cc1)NNC1=NCCC1
InChIInChI=1S/C12H15BrN4O/c13-9-3-5-10(6-4-9)15-8-12(18)17-16-11-2-1-7-14-11/h3-6,15H,1-2,7-8H2,(H,14,16)(H,17,18)
InChIKeyHNVPPBMRTCQTPC-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.67
Rot. Bonds3

About 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide

2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide (PubChem CID 2316407) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
PubChem CID2316407
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
SMILESO=C(CNc1ccc(Br)cc1)NNC1=NCCC1
InChIInChI=1S/C12H15BrN4O/c13-9-3-5-10(6-4-9)15-8-12(18)17-16-11-2-1-7-14-11/h3-6,15H,1-2,7-8H2,(H,14,16)(H,17,18)
InChIKeyHNVPPBMRTCQTPC-UHFFFAOYSA-N
XLogP1.67
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The IUPAC name of 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide (CID 2316407) is 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide.
What is the SMILES notation for 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The canonical SMILES for 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide is O=C(CNc1ccc(Br)cc1)NNC1=NCCC1.
What is the InChIKey of 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The InChIKey is HNVPPBMRTCQTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c13-9-3-5-10(6-4-9)15-8-12(18)17-16-11-2-1-7-14-11/h3-6,15H,1-2,7-8H2,(H,14,16)(H,17,18).
What are the key properties of 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide has a molecular weight of 311.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide is sourced from PubChem (CID 2316407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).