N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide

C18H19ClN2O5 — CID 35538420

IUPACN-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19ClN2O5/c1-4-26-17-10-15(21(23)24)13(9-16(17)25-3)18(22)20(2)11-12-7-5-6-8-14(12)19/h5-10H,4,11H2,1-3H3
InChIKeyYDAUXJHTRCYLSP-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.93
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide

N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide (PubChem CID 35538420) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide
PubChem CID35538420
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19ClN2O5/c1-4-26-17-10-15(21(23)24)13(9-16(17)25-3)18(22)20(2)11-12-7-5-6-8-14(12)19/h5-10H,4,11H2,1-3H3
InChIKeyYDAUXJHTRCYLSP-UHFFFAOYSA-N
XLogP3.93
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.93
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-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 119172192
5-ethoxy-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-nitrobenzamide
CID 51212673
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 9125273
N-[(3,4-dichlorophenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitrobenzamide
CID 24563230
N-benzyl-N-butan-2-yl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 43033492
(2-nitrophenyl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666474
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
N-[(2-chloro-5-nitrophenyl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 71901006
N-[(1-benzylpyrazol-4-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 31673836
4-(difluoromethoxy)-5-methoxy-N-methyl-2-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24661002
N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 134060927
N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
CID 51268497

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide (CID 35538420) is N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide is CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2Cl)cc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide?
The InChIKey is YDAUXJHTRCYLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-4-26-17-10-15(21(23)24)13(9-16(17)25-3)18(22)20(2)11-12-7-5-6-8-14(12)19/h5-10H,4,11H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide?
N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide has a molecular weight of 378.81 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 35538420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).