N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide

C17H18ClN3O4 — CID 31727361

IUPACN-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O4/c18-13-7-5-12(6-8-13)11-16(23)21-20-15(22)4-1-9-19-17(24)14-3-2-10-25-14/h2-3,5-8,10H,1,4,9,11H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyKMYDDKCUBOAPKL-UHFFFAOYSA-N
MW363.80 g/mol
LogP1.83
Rot. Bonds7

About N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide

N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide (PubChem CID 31727361) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
PubChem CID31727361
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC NameN-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O4/c18-13-7-5-12(6-8-13)11-16(23)21-20-15(22)4-1-9-19-17(24)14-3-2-10-25-14/h2-3,5-8,10H,1,4,9,11H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyKMYDDKCUBOAPKL-UHFFFAOYSA-N
XLogP1.83
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4805945
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
CID 34573533
(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
CID 55369171
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 41483998
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 34282135
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 24557874
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide (CID 31727361) is N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is KMYDDKCUBOAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c18-13-7-5-12(6-8-13)11-16(23)21-20-15(22)4-1-9-19-17(24)14-3-2-10-25-14/h2-3,5-8,10H,1,4,9,11H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 31727361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).