4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide

C19H20ClN3O5 — CID 2310070

IUPAC4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C19H20ClN3O5/c1-3-22(4-2)19(25)13-5-7-14(8-6-13)21-18(24)12-28-17-10-9-15(23(26)27)11-16(17)20/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyRUXCRGHFNZJKEE-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.75
Rot. Bonds8

About 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 2310070) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID2310070
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Name4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C19H20ClN3O5/c1-3-22(4-2)19(25)13-5-7-14(8-6-13)21-18(24)12-28-17-10-9-15(23(26)27)11-16(17)20/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyRUXCRGHFNZJKEE-UHFFFAOYSA-N
XLogP3.75
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.75
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'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2540178
3-(2-chloro-4-nitrophenoxy)-N-(2-ethylphenyl)benzamide
CID 1287162
1-[3-(2-Chloro-4-nitrophenoxy)benzoyl]piperidine
CID 1303358
3-(2-chloro-4-nitrophenoxy)-N-(4-methoxyphenyl)benzamide
CID 1313380
N-isobutyl-3-{[(4-nitrophenoxy)acetyl]amino}benzamide
CID 1317507
4-(2-chloro-4-nitrophenoxy)-N,N-diethylbenzamide
CID 2232939
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2493982
3-(2-chloro-4-nitrophenoxy)-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2943750
2-(2-chloro-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 3995786
4-[2-(2-Chloro-4-nitrophenoxy)propanoylamino]benzamide
CID 4840981
2-(2-chlorophenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4932099
2-(2-chlorophenoxy)-N-[2-(1-piperidinylcarbonyl)phenyl]acetamide
CID 4936043

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 2310070) is 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is RUXCRGHFNZJKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5/c1-3-22(4-2)19(25)13-5-7-14(8-6-13)21-18(24)12-28-17-10-9-15(23(26)27)11-16(17)20/h5-11H,3-4,12H2,1-2H3,(H,21,24).
What are the key properties of 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 405.84 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 2310070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).