N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide

C19H21N3O5 — CID 26712704

IUPACN-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H21N3O5/c1-4-21(5-2)19(24)14-7-6-8-15(11-14)20-18(23)13-9-10-17(27-3)16(12-13)22(25)26/h6-12H,4-5H2,1-3H3,(H,20,23)
InChIKeyOSNWBVUZCDSNGD-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.34
Rot. Bonds7

About N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide

N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide (PubChem CID 26712704) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide
PubChem CID26712704
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H21N3O5/c1-4-21(5-2)19(24)14-7-6-8-15(11-14)20-18(23)13-9-10-17(27-3)16(12-13)22(25)26/h6-12H,4-5H2,1-3H3,(H,20,23)
InChIKeyOSNWBVUZCDSNGD-UHFFFAOYSA-N
XLogP3.34
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.34
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

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 9290462
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-[(3-acetylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 1139342
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350
N-(4-butylphenyl)-4-methoxy-3-nitrobenzamide
CID 3346211
N-[4-(diethylamino)-4-oxobutyl]-4-methoxy-3-nitrobenzamide
CID 60513270
N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
CID 39964708
N-[[3-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 5034747
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide (CID 26712704) is N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is OSNWBVUZCDSNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-4-21(5-2)19(24)14-7-6-8-15(11-14)20-18(23)13-9-10-17(27-3)16(12-13)22(25)26/h6-12H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 371.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 26712704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).