N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide

C20H18BrNO2 — CID 143316973

IUPACN-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide
SMILESCCOC(NC(=O)c1cccc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H18BrNO2/c1-2-24-20(15-10-12-16(21)13-11-15)22-19(23)18-9-5-7-14-6-3-4-8-17(14)18/h3-13,20H,2H2,1H3,(H,22,23)
InChIKeyLCSIHQVDKURRQM-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.07
Rot. Bonds5

About N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide

N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide (PubChem CID 143316973) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide
PubChem CID143316973
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC NameN-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide
SMILESCCOC(NC(=O)c1cccc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H18BrNO2/c1-2-24-20(15-10-12-16(21)13-11-15)22-19(23)18-9-5-7-14-6-3-4-8-17(14)18/h3-13,20H,2H2,1H3,(H,22,23)
InChIKeyLCSIHQVDKURRQM-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(4-bromophenyl)-ethoxymethyl]benzamide
CID 152822052
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
N-[1-(4-bromophenyl)ethyl]isoquinoline-4-carboxamide
CID 87023885
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-(5-bromopentan-2-yl)naphthalene-1-carboxamide
CID 113276035
2-ethoxy-2-methylsulfanyl-1-naphthalen-1-ylethanone
CID 102371029
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
N-(1-aminopentan-2-yl)naphthalene-1-carboxamide
CID 65191426
ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
CID 22093441
N-(2-amino-1-phenylethyl)naphthalene-1-carboxamide
CID 10424319
N-[ethoxy-(4-nitrophenyl)methyl]benzamide
CID 102584694

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide (CID 143316973) is N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide is CCOC(NC(=O)c1cccc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide?
The InChIKey is LCSIHQVDKURRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-2-24-20(15-10-12-16(21)13-11-15)22-19(23)18-9-5-7-14-6-3-4-8-17(14)18/h3-13,20H,2H2,1H3,(H,22,23).
What are the key properties of N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide?
N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide has a molecular weight of 384.27 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-ethoxymethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 143316973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).