N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C18H21BrClFN2O2 — CID 119738549

IUPACN-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F.Cl
InChIInChI=1S/C18H20BrFN2O2.ClH/c1-24-10-9-21-12-17(23)22-18(13-5-3-2-4-6-13)15-8-7-14(19)11-16(15)20;/h2-8,11,18,21H,9-10,12H2,1H3,(H,22,23);1H
InChIKeyDKAMMJAQZFUIHV-UHFFFAOYSA-N
MW431.73 g/mol
LogP3.45
Rot. Bonds8

About N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119738549) has the molecular formula C18H21BrClFN2O2 and a molecular weight of 431.73 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119738549
Molecular FormulaC18H21BrClFN2O2
Molecular Weight431.73 g/mol
Exact Mass430.05
IUPAC NameN-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F.Cl
InChIInChI=1S/C18H20BrFN2O2.ClH/c1-24-10-9-21-12-17(23)22-18(13-5-3-2-4-6-13)15-8-7-14(19)11-16(15)20;/h2-8,11,18,21H,9-10,12H2,1H3,(H,22,23);1H
InChIKeyDKAMMJAQZFUIHV-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.73
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
CID 120560847
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 60523190
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-3-(phenylcarbamoylamino)propanamide
CID 55990369
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
CID 52724876
2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
CID 55990114
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
methyl 3-(3-bromophenyl)-3-[[2-(2-methoxyethylamino)acetyl]amino]propanoate;hydrochloride
CID 119750810
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-nitrophenoxy)acetamide
CID 55857646
methyl 6-[[(4-bromo-2-fluorophenyl)-phenylmethyl]carbamoyl]pyridine-3-carboxylate
CID 55991772
N-[4-[[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51965230

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119738549) is N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F.Cl.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is DKAMMJAQZFUIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O2.ClH/c1-24-10-9-21-12-17(23)22-18(13-5-3-2-4-6-13)15-8-7-14(19)11-16(15)20;/h2-8,11,18,21H,9-10,12H2,1H3,(H,22,23);1H.
What are the key properties of N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 431.73 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119738549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).