4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide

C18H16BrN3O2 — CID 8983110

IUPAC4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C18H16BrN3O2/c1-2-24-17-8-7-12-5-3-4-6-14(12)15(17)11-21-22-18(23)16-9-13(19)10-20-16/h3-11,20H,2H2,1H3,(H,22,23)/b21-11-
InChIKeyOQRWBHGQOHHVKR-NHDPSOOVSA-N
MW386.25 g/mol
LogP4.09
Rot. Bonds5

About 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide

4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 8983110) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID8983110
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C18H16BrN3O2/c1-2-24-17-8-7-12-5-3-4-6-14(12)15(17)11-21-22-18(23)16-9-13(19)10-20-16/h3-11,20H,2H2,1H3,(H,22,23)/b21-11-
InChIKeyOQRWBHGQOHHVKR-NHDPSOOVSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8982923
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
5-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126019339
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
CID 6872223
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9463146
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397757
N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 1124786
2-[2-[(Z)-[(4-bromo-1H-pyrrole-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 8982713
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 7240387

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 8983110) is 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide is CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is OQRWBHGQOHHVKR-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-2-24-17-8-7-12-5-3-4-6-14(12)15(17)11-21-22-18(23)16-9-13(19)10-20-16/h3-11,20H,2H2,1H3,(H,22,23)/b21-11-.
What are the key properties of 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8983110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).