N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide

C15H14ClN3O4 — CID 4805945

IUPACN-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O4/c16-11-5-3-10(4-6-11)14(21)19-18-13(20)7-8-17-15(22)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,22)(H,18,20)(H,19,21)
InChIKeyLHAMXLXJKXPVJZ-UHFFFAOYSA-N
MW335.75 g/mol
LogP1.51
Rot. Bonds5

About N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide

N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 4805945) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
PubChem CID4805945
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC NameN-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O4/c16-11-5-3-10(4-6-11)14(21)19-18-13(20)7-8-17-15(22)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,22)(H,18,20)(H,19,21)
InChIKeyLHAMXLXJKXPVJZ-UHFFFAOYSA-N
XLogP1.51
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.51
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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Related Compounds

N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
CID 27685933
4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4795367
N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxopropyl]furan-2-carboxamide
CID 17407014
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
N-[3-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 110004386
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 2678141
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-[2-(benzylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 7977854

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide (CID 4805945) is N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is LHAMXLXJKXPVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-11-5-3-10(4-6-11)14(21)19-18-13(20)7-8-17-15(22)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 335.75 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 4805945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).