N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide

C19H21ClN2O5 — CID 137160364

IUPACN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)ccc1OC
InChIInChI=1S/C19H21ClN2O5/c1-4-26-16-10-13(6-7-15(16)25-3)19(24)22-21-11-12-8-14(20)18(23)17(9-12)27-5-2/h6-11,23H,4-5H2,1-3H3,(H,22,24)/b21-11+
InChIKeyDJWPJFJFQQBHCY-SRZZPIQSSA-N
MW392.84 g/mol
LogP3.62
Rot. Bonds8

About N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide

N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide (PubChem CID 137160364) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
PubChem CID137160364
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC NameN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)ccc1OC
InChIInChI=1S/C19H21ClN2O5/c1-4-26-16-10-13(6-7-15(16)25-3)19(24)22-21-11-12-8-14(20)18(23)17(9-12)27-5-2/h6-11,23H,4-5H2,1-3H3,(H,22,24)/b21-11+
InChIKeyDJWPJFJFQQBHCY-SRZZPIQSSA-N
XLogP3.62
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 135747933
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135710501
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137085188
4-tert-butyl-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135582484
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135673817
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643431
N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 795240
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 137143662
3,4-diethoxy-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
CID 137068545

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide (CID 137160364) is N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)ccc1OC.
What is the InChIKey of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide?
The InChIKey is DJWPJFJFQQBHCY-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-4-26-16-10-13(6-7-15(16)25-3)19(24)22-21-11-12-8-14(20)18(23)17(9-12)27-5-2/h6-11,23H,4-5H2,1-3H3,(H,22,24)/b21-11+.
What are the key properties of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide?
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide has a molecular weight of 392.84 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 137160364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).