4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide

C19H15ClN2O5 — CID 55933566

IUPAC4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15ClN2O5/c20-14-6-7-17(18(10-14)22(24)25)19(23)21-15-4-1-3-13(9-15)11-26-12-16-5-2-8-27-16/h1-10H,11-12H2,(H,21,23)
InChIKeyRXKRAGOCFFZZGD-UHFFFAOYSA-N
MW386.79 g/mol
LogP4.81
Rot. Bonds7

About 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide

4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide (PubChem CID 55933566) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide
PubChem CID55933566
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1cccc(COCc2ccco2)c1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15ClN2O5/c20-14-6-7-17(18(10-14)22(24)25)19(23)21-15-4-1-3-13(9-15)11-26-12-16-5-2-8-27-16/h1-10H,11-12H2,(H,21,23)
InChIKeyRXKRAGOCFFZZGD-UHFFFAOYSA-N
XLogP4.81
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.81
H-Bond Donors ≤ 51
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'}

Analyze 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9293301
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
3-fluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-methoxybenzamide
CID 87006764
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
propyl 3-[(4-chloro-2-nitrobenzoyl)amino]benzoate
CID 19171818
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide (CID 55933566) is 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide is O=C(Nc1cccc(COCc2ccco2)c1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide?
The InChIKey is RXKRAGOCFFZZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c20-14-6-7-17(18(10-14)22(24)25)19(23)21-15-4-1-3-13(9-15)11-26-12-16-5-2-8-27-16/h1-10H,11-12H2,(H,21,23).
What are the key properties of 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide?
4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide has a molecular weight of 386.79 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 55933566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).