N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide

C23H21ClN2O3 — CID 2873775

IUPACN-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCC(C)NC(=O)C(=Cc1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1
InChIInChI=1S/C23H21ClN2O3/c1-15(2)25-23(28)20(26-22(27)16-8-4-3-5-9-16)14-17-12-13-21(29-17)18-10-6-7-11-19(18)24/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyYXIDWHJRNFPGMM-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.90
Rot. Bonds6

About N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide

N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide (PubChem CID 2873775) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
PubChem CID2873775
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
SMILESCC(C)NC(=O)C(=Cc1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1
InChIInChI=1S/C23H21ClN2O3/c1-15(2)25-23(28)20(26-22(27)16-8-4-3-5-9-16)14-17-12-13-21(29-17)18-10-6-7-11-19(18)24/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyYXIDWHJRNFPGMM-UHFFFAOYSA-N
XLogP4.90
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.90
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-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2873599
2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 76823927
2-acetamido-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 4768027
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
4-chloro-N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide
CID 6525173
2-(2-chlorophenyl)-5-[(E)-2-methoxy-2-phenylethenyl]furan
CID 1483073
N-[(E)-3-(benzylamino)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 6241436
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681
N-[(E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5442663
N-[1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-(2-methylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 3477617
N-[(Z)-3-[4-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-1-[5-(2-methoxyphenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 124653255
N-[(Z)-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxo-3-(propylamino)prop-1-en-2-yl]benzamide
CID 2131804

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide (CID 2873775) is N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide is CC(C)NC(=O)C(=Cc1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
The InChIKey is YXIDWHJRNFPGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15(2)25-23(28)20(26-22(27)16-8-4-3-5-9-16)14-17-12-13-21(29-17)18-10-6-7-11-19(18)24/h3-15H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide?
N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 2873775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).