2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide

C20H16ClN3O3 — CID 57382767

IUPAC2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
SMILESO=C(NCc1cccnc1)/C(=C/c1ccco1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H16ClN3O3/c21-17-8-2-1-7-16(17)19(25)24-18(11-15-6-4-10-27-15)20(26)23-13-14-5-3-9-22-12-14/h1-12H,13H2,(H,23,26)(H,24,25)/b18-11-
InChIKeyVOTUQQKPCQYRFB-WQRHYEAKSA-N
MW381.82 g/mol
LogP3.42
Rot. Bonds6

About 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide

2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide (PubChem CID 57382767) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
PubChem CID57382767
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
SMILESO=C(NCc1cccnc1)/C(=C/c1ccco1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H16ClN3O3/c21-17-8-2-1-7-16(17)19(25)24-18(11-15-6-4-10-27-15)20(26)23-13-14-5-3-9-22-12-14/h1-12H,13H2,(H,23,26)(H,24,25)/b18-11-
InChIKeyVOTUQQKPCQYRFB-WQRHYEAKSA-N
XLogP3.42
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 675144
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-2-methoxybenzamide
CID 57382769
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
CID 76532197
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
4-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate
CID 2281559
(E)-2-cyano-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 40527924
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
2-bromo-N-[(Z)-1-(3-fluorophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 5292082
N-[(Z)-1-(furan-2-yl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942587
N-[1-(4-bromophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 4279184
2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5403893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide (CID 57382767) is 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide is O=C(NCc1cccnc1)/C(=C/c1ccco1)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide?
The InChIKey is VOTUQQKPCQYRFB-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-17-8-2-1-7-16(17)19(25)24-18(11-15-6-4-10-27-15)20(26)23-13-14-5-3-9-22-12-14/h1-12H,13H2,(H,23,26)(H,24,25)/b18-11-.
What are the key properties of 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide?
2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide has a molecular weight of 381.82 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 57382767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).