(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide

C19H15ClN2O2 — CID 100828761

IUPAC(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C19H15ClN2O2/c20-14-3-1-2-13(12-14)18-10-8-17(24-18)9-11-19(23)22-16-6-4-15(21)5-7-16/h1-12H,21H2,(H,22,23)/b11-9+
InChIKeySBNBCDMQEMIQTC-PKNBQFBNSA-N
MW338.79 g/mol
LogP4.83
Rot. Bonds4

About (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide

(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 100828761) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID100828761
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C19H15ClN2O2/c20-14-3-1-2-13(12-14)18-10-8-17(24-18)9-11-19(23)22-16-6-4-15(21)5-7-16/h1-12H,21H2,(H,22,23)/b11-9+
InChIKeySBNBCDMQEMIQTC-PKNBQFBNSA-N
XLogP4.83
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-aminophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 100828816
(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828764
4-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686539
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
2,4-dichloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
CID 17319130
2-chloro-N-[3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]benzamide
CID 17117694
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,4-dichlorophenyl)prop-2-enamide
CID 19631584
ethyl 3-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate
CID 17066448
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 5344040
3-[5-(3-nitrophenyl)furan-2-yl]-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 4697669
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678289

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide (CID 100828761) is (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide is Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1.
What is the InChIKey of (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is SBNBCDMQEMIQTC-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-14-3-1-2-13(12-14)18-10-8-17(24-18)9-11-19(23)22-16-6-4-15(21)5-7-16/h1-12H,21H2,(H,22,23)/b11-9+.
What are the key properties of (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 338.79 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 100828761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).