2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide

C18H17ClN2O4 — CID 47064701

IUPAC2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-17-11-14(21(23)24)5-7-16(17)18(22)20-8-9-25-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,20,22)
InChIKeyFXGXKNWRSMFUJK-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.55
Rot. Bonds6

About 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide

2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide (PubChem CID 47064701) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide
PubChem CID47064701
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-17-11-14(21(23)24)5-7-16(17)18(22)20-8-9-25-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,20,22)
InChIKeyFXGXKNWRSMFUJK-UHFFFAOYSA-N
XLogP3.55
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-1-N,3-N-bis[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzene-1,3-dicarboxamide
CID 3900364
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-nitrobenzamide
CID 9022493
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-nitrobenzamide
CID 51092469
N-[2-(3-aminophenoxy)ethyl]-2-chloro-5-nitrobenzamide
CID 139950400
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
2-chloro-N-[2-[3-(methanesulfonamido)phenoxy]ethyl]-5-nitrobenzamide
CID 139950417
N-[2-[4-(carbamoylamino)phenoxy]ethyl]-2-chloro-5-nitrobenzamide
CID 139950443
2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
N-(3-aminopropyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119405869
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
2-[(2-chloro-4-nitrobenzoyl)amino]ethyl 3-phenylpropanoate
CID 47600442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide (CID 47064701) is 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide is O=C(NCCOc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide?
The InChIKey is FXGXKNWRSMFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-17-11-14(21(23)24)5-7-16(17)18(22)20-8-9-25-15-6-4-12-2-1-3-13(12)10-15/h4-7,10-11H,1-3,8-9H2,(H,20,22).
What are the key properties of 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide?
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide has a molecular weight of 360.80 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-nitrobenzamide is sourced from PubChem (CID 47064701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).