2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide

C18H19ClN4O4 — CID 4585295

IUPAC2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(O)c1
InChIInChI=1S/C18H19ClN4O4/c1-3-22(4-2)13-6-5-12(17(24)10-13)11-20-21-18(25)15-8-7-14(23(26)27)9-16(15)19/h5-11,24H,3-4H2,1-2H3,(H,21,25)
InChIKeyYUGIQBCDMWLKCL-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.56
Rot. Bonds7

About 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide

2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide (PubChem CID 4585295) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
PubChem CID4585295
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Name2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(O)c1
InChIInChI=1S/C18H19ClN4O4/c1-3-22(4-2)13-6-5-12(17(24)10-13)11-20-21-18(25)15-8-7-14(23(26)27)9-16(15)19/h5-11,24H,3-4H2,1-2H3,(H,21,25)
InChIKeyYUGIQBCDMWLKCL-UHFFFAOYSA-N
XLogP3.56
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-nitrobenzamide
CID 136858298
4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 135716285
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide
CID 4520200
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
2-chloro-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135900983
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
5-(diethylamino)-2-[2-(4-nitroanilino)ethyliminomethyl]phenol
CID 135710907
2-chloro-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
CID 5334573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide (CID 4585295) is 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide is CCN(CC)c1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(O)c1.
What is the InChIKey of 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide?
The InChIKey is YUGIQBCDMWLKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c1-3-22(4-2)13-6-5-12(17(24)10-13)11-20-21-18(25)15-8-7-14(23(26)27)9-16(15)19/h5-11,24H,3-4H2,1-2H3,(H,21,25).
What are the key properties of 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide?
2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide has a molecular weight of 390.83 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 4585295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).