N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide

C20H15ClN2O3 — CID 55811858

IUPACN-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15ClN2O3/c21-15-9-10-16(17(13-15)23-20(25)18-7-4-12-26-18)22-19(24)11-8-14-5-2-1-3-6-14/h1-13H,(H,22,24)(H,23,25)/b11-8+
InChIKeyUOSKDAAWNAARFU-DHZHZOJOSA-N
MW366.80 g/mol
LogP4.84
Rot. Bonds5

About N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 55811858) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
PubChem CID55811858
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC NameN-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15ClN2O3/c21-15-9-10-16(17(13-15)23-20(25)18-7-4-12-26-18)22-19(24)11-8-14-5-2-1-3-6-14/h1-13H,(H,22,24)(H,23,25)/b11-8+
InChIKeyUOSKDAAWNAARFU-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-[2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-5-chlorophenyl]furan-2-carboxamide
CID 55645244
N-[5-chloro-2-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]furan-2-carboxamide
CID 39344855
N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
CID 1015757
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1333709
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1348018
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 94660299
N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide
CID 39344896

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide (CID 55811858) is N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide is O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is UOSKDAAWNAARFU-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-15-9-10-16(17(13-15)23-20(25)18-7-4-12-26-18)22-19(24)11-8-14-5-2-1-3-6-14/h1-13H,(H,22,24)(H,23,25)/b11-8+.
What are the key properties of N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[[(E)-3-phenylprop-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-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55811858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).