2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide

C22H16Cl2N2O3 — CID 143034725

IUPAC2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/C=C/C=C\c1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N2O3/c23-15-10-11-17(19(24)14-15)22(28)26-20-9-2-1-8-18(20)21(27)25-12-4-3-6-16-7-5-13-29-16/h1-14H,(H,25,27)(H,26,28)/b6-3-,12-4+
InChIKeyGSALVFNIHKKSRK-OJCJLYEQSA-N
MW427.29 g/mol
LogP5.80
Rot. Bonds6

About 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide

2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide (PubChem CID 143034725) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide
PubChem CID143034725
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC Name2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/C=C/C=C\c1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N2O3/c23-15-10-11-17(19(24)14-15)22(28)26-20-9-2-1-8-18(20)21(27)25-12-4-3-6-16-7-5-13-29-16/h1-14H,(H,25,27)(H,26,28)/b6-3-,12-4+
InChIKeyGSALVFNIHKKSRK-OJCJLYEQSA-N
XLogP5.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
(E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 6134681
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
2,4-dichloro-N-[2-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1339954
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate
CID 1471296
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
2-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 6088620
4-bromo-N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126004546
2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5403893
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide (CID 143034725) is 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide is O=C(Nc1ccccc1C(=O)N/C=C/C=C\c1ccco1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide?
The InChIKey is GSALVFNIHKKSRK-OJCJLYEQSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c23-15-10-11-17(19(24)14-15)22(28)26-20-9-2-1-8-18(20)21(27)25-12-4-3-6-16-7-5-13-29-16/h1-14H,(H,25,27)(H,26,28)/b6-3-,12-4+.
What are the key properties of 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide?
2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide has a molecular weight of 427.29 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 143034725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).