(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid

C14H10ClNO4 — CID 7137594

IUPAC(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO4/c15-10-5-3-9(4-6-10)13(17)16-12(14(18)19)8-11-2-1-7-20-11/h1-8H,(H,16,17)(H,18,19)/b12-8+
InChIKeyAFNZMAKISSGAKV-XYOKQWHBSA-N
MW291.69 g/mol
LogP2.79
Rot. Bonds4

About (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid

(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid (PubChem CID 7137594) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
PubChem CID7137594
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO4/c15-10-5-3-9(4-6-10)13(17)16-12(14(18)19)8-11-2-1-7-20-11/h1-8H,(H,16,17)(H,18,19)/b12-8+
InChIKeyAFNZMAKISSGAKV-XYOKQWHBSA-N
XLogP2.79
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.79
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-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3708482
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478
4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5437782
4-chloro-N-[(Z)-1-(furan-2-yl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2302592
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
4-chloro-N-[(E)-3-(4-ethylpiperidin-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 143030474
N-[(Z)-3-[4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylanilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783498
N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 2252967
N-[3-[(2,4-dichlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4201110
N-[(Z)-3-[2-(4-chlorophenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100545825

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid (CID 7137594) is (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid is O=C(O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid?
The InChIKey is AFNZMAKISSGAKV-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-10-5-3-9(4-6-10)13(17)16-12(14(18)19)8-11-2-1-7-20-11/h1-8H,(H,16,17)(H,18,19)/b12-8+.
What are the key properties of (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid?
(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid has a molecular weight of 291.69 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid is sourced from PubChem (CID 7137594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).