N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide

C20H15ClN2O3 — CID 1015757

IUPACN-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H15ClN2O3/c21-15-6-3-14(4-7-15)5-12-19(24)22-16-8-10-17(11-9-16)23-20(25)18-2-1-13-26-18/h1-13H,(H,22,24)(H,23,25)
InChIKeyOWTOMAYMZDSJHX-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.84
Rot. Bonds5

About N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide

N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide (PubChem CID 1015757) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
PubChem CID1015757
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC NameN-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H15ClN2O3/c21-15-6-3-14(4-7-15)5-12-19(24)22-16-8-10-17(11-9-16)23-20(25)18-2-1-13-26-18/h1-13H,(H,22,24)(H,23,25)
InChIKeyOWTOMAYMZDSJHX-UHFFFAOYSA-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-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1333709
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 5348605
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1348018
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
N-[4-[[[(E)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618639

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide (CID 1015757) is N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide is O=C(C=Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide?
The InChIKey is OWTOMAYMZDSJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-15-6-3-14(4-7-15)5-12-19(24)22-16-8-10-17(11-9-16)23-20(25)18-2-1-13-26-18/h1-13H,(H,22,24)(H,23,25).
What are the key properties of N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide?
N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]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-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1015757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).