3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide

C19H13Cl2N3O5 — CID 1313709

IUPAC3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13Cl2N3O5/c20-12-8-15(19(26)22-10-14-5-2-6-29-14)17(16(21)9-12)23-18(25)11-3-1-4-13(7-11)24(27)28/h1-9H,10H2,(H,22,26)(H,23,25)
InChIKeyDFQULGJYOCGHLM-UHFFFAOYSA-N
MW434.24 g/mol
LogP4.68
Rot. Bonds6

About 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide

3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide (PubChem CID 1313709) has the molecular formula C19H13Cl2N3O5 and a molecular weight of 434.24 g/mol. Its IUPAC name is 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide
PubChem CID1313709
Molecular FormulaC19H13Cl2N3O5
Molecular Weight434.24 g/mol
Exact Mass433.02
IUPAC Name3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13Cl2N3O5/c20-12-8-15(19(26)22-10-14-5-2-6-29-14)17(16(21)9-12)23-18(25)11-3-1-4-13(7-11)24(27)28/h1-9H,10H2,(H,22,26)(H,23,25)
InChIKeyDFQULGJYOCGHLM-UHFFFAOYSA-N
XLogP4.68
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 41143393
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzamide
CID 17296222
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 9034384
N-[2-(1,3-benzothiazol-2-yl)-4,6-dichlorophenyl]-3-nitrobenzamide
CID 17110390
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062
3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
CID 3457149
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(3-nitrophenyl)benzamide
CID 9411068
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The IUPAC name of 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide (CID 1313709) is 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The canonical SMILES for 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide is O=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The InChIKey is DFQULGJYOCGHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5/c20-12-8-15(19(26)22-10-14-5-2-6-29-14)17(16(21)9-12)23-18(25)11-3-1-4-13(7-11)24(27)28/h1-9H,10H2,(H,22,26)(H,23,25).
What are the key properties of 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide?
3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide has a molecular weight of 434.24 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(furan-2-ylmethyl)-2-[(3-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 1313709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).