2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide

C17H13ClN2O4S — CID 2566916

IUPAC2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C17H13ClN2O4S/c18-16-9-12(20(22)23)5-6-15(16)17(21)19(10-13-3-1-7-24-13)11-14-4-2-8-25-14/h1-9H,10-11H2
InChIKeyNBDNVBFCQKSMTP-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.75
Rot. Bonds6

About 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide

2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2566916) has the molecular formula C17H13ClN2O4S and a molecular weight of 376.82 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2566916
Molecular FormulaC17H13ClN2O4S
Molecular Weight376.82 g/mol
Exact Mass376.03
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C17H13ClN2O4S/c18-16-9-12(20(22)23)5-6-15(16)17(21)19(10-13-3-1-7-24-13)11-14-4-2-8-25-14/h1-9H,10-11H2
InChIKeyNBDNVBFCQKSMTP-UHFFFAOYSA-N
XLogP4.75
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.75
H-Bond Donors ≤ 50
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-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495692
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084705
2-chloro-N-cyclopropyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 37484213
N-(furan-2-ylmethyl)-5-methyl-4-nitro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 31836850
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-chloro-4-nitro-N-prop-2-enylbenzamide
CID 42664628
N-(furan-2-ylmethyl)-4,5-dimethoxy-2-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495710
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 61050877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide (CID 2566916) is 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is NBDNVBFCQKSMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S/c18-16-9-12(20(22)23)5-6-15(16)17(21)19(10-13-3-1-7-24-13)11-14-4-2-8-25-14/h1-9H,10-11H2.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide?
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 376.82 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2566916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).