2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide

C19H20Br2N2O2 — CID 3354478

IUPAC2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide
SMILESCCC1CCCC1=NNC(=O)COc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C19H20Br2N2O2/c1-2-12-4-3-5-16(12)22-23-18(24)11-25-17-9-6-13-10-14(20)7-8-15(13)19(17)21/h6-10,12H,2-5,11H2,1H3,(H,23,24)
InChIKeyKNTCGENDVCKSBF-UHFFFAOYSA-N
MW468.19 g/mol
LogP5.43
Rot. Bonds5

About 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide

2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide (PubChem CID 3354478) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide.

Molecular Properties

Compound Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide
PubChem CID3354478
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide
SMILESCCC1CCCC1=NNC(=O)COc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C19H20Br2N2O2/c1-2-12-4-3-5-16(12)22-23-18(24)11-25-17-9-6-13-10-14(20)7-8-15(13)19(17)21/h6-10,12H,2-5,11H2,1H3,(H,23,24)
InChIKeyKNTCGENDVCKSBF-UHFFFAOYSA-N
XLogP5.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.19
LogP ≤ 55.43
H-Bond Donors ≤ 51
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

2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
CID 3352601
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3358158
2-(1,6-dibromonaphthalen-2-yl)oxy-1-pyrrolidin-1-ylethanone
CID 3330511
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3350497
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560539
N-[(E)-(2-ethylcyclopentylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6384661
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3350510
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]pentanamide
CID 4925812
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 3349452
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 3350501
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(4-methoxyphenyl)acetamide
CID 3326030

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide?
The IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide (CID 3354478) is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide.
What is the SMILES notation for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide?
The canonical SMILES for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide is CCC1CCCC1=NNC(=O)COc1ccc2cc(Br)ccc2c1Br.
What is the InChIKey of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide?
The InChIKey is KNTCGENDVCKSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c1-2-12-4-3-5-16(12)22-23-18(24)11-25-17-9-6-13-10-14(20)7-8-15(13)19(17)21/h6-10,12H,2-5,11H2,1H3,(H,23,24).
What are the key properties of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide?
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide has a molecular weight of 468.19 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide is sourced from PubChem (CID 3354478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).