N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide

C12H15BrN2O3 — CID 954154

IUPACN-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1cc(Br)c(C=NNC(C)=O)cc1OC
InChIInChI=1S/C12H15BrN2O3/c1-4-18-12-6-10(13)9(5-11(12)17-3)7-14-15-8(2)16/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyFIDRPKXXNQEEHO-UHFFFAOYSA-N
MW315.17 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide

N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide (PubChem CID 954154) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
PubChem CID954154
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1cc(Br)c(C=NNC(C)=O)cc1OC
InChIInChI=1S/C12H15BrN2O3/c1-4-18-12-6-10(13)9(5-11(12)17-3)7-14-15-8(2)16/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyFIDRPKXXNQEEHO-UHFFFAOYSA-N
XLogP2.33
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[5-bromo-4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]acetic acid
CID 19655705
2-[5-bromo-4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]acetic acid
CID 19578401
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 19617603
ethyl 2-[5-bromo-4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]propanoate
CID 168533353
N-[(E)-(2-bromo-4,5-diethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249707
N-[(E)-(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126047866
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(Z)-(2-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 6081943
[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea
CID 19617599
[(2-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 57360365
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 3979901
N-[(Z)-[2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378322

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide (CID 954154) is N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide is CCOc1cc(Br)c(C=NNC(C)=O)cc1OC.
What is the InChIKey of N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is FIDRPKXXNQEEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-4-18-12-6-10(13)9(5-11(12)17-3)7-14-15-8(2)16/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide?
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 315.17 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 954154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).