N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide

C20H15ClN2O3 — CID 1333709

IUPACN-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H15ClN2O3/c21-15-9-6-14(7-10-15)8-11-19(24)22-16-3-1-4-17(13-16)23-20(25)18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)/b11-8+
InChIKeyVJHMQWLAPJQIST-DHZHZOJOSA-N
MW366.80 g/mol
LogP4.84
Rot. Bonds5

About N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide

N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1333709) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
PubChem CID1333709
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC NameN-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H15ClN2O3/c21-15-9-6-14(7-10-15)8-11-19(24)22-16-3-1-4-17(13-16)23-20(25)18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)/b11-8+
InChIKeyVJHMQWLAPJQIST-DHZHZOJOSA-N
XLogP4.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
CID 1015757
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 1315625
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
[2-[[[3-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 126228371
N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1348018
methyl 3-[3-(4-chlorophenyl)prop-2-enoylamino]benzoate
CID 692491
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 17197560
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167994
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide (CID 1333709) is N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is VJHMQWLAPJQIST-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-15-9-6-14(7-10-15)8-11-19(24)22-16-3-1-4-17(13-16)23-20(25)18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)/b11-8+.
What are the key properties of N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1333709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).