3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride

C18H21BrClFN2O — CID 119952337

IUPAC3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H20BrFN2O.ClH/c1-12(9-13-7-8-16(20)15(19)10-13)22-18(23)11-17(21)14-5-3-2-4-6-14;/h2-8,10,12,17H,9,11,21H2,1H3,(H,22,23);1H
InChIKeyZNIRGVDNXXDMCA-UHFFFAOYSA-N
MW415.73 g/mol
LogP4.15
Rot. Bonds6

About 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride (PubChem CID 119952337) has the molecular formula C18H21BrClFN2O and a molecular weight of 415.73 g/mol. Its IUPAC name is 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
PubChem CID119952337
Molecular FormulaC18H21BrClFN2O
Molecular Weight415.73 g/mol
Exact Mass414.05
IUPAC Name3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H20BrFN2O.ClH/c1-12(9-13-7-8-16(20)15(19)10-13)22-18(23)11-17(21)14-5-3-2-4-6-14;/h2-8,10,12,17H,9,11,21H2,1H3,(H,22,23);1H
InChIKeyZNIRGVDNXXDMCA-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]butanamide;hydrochloride
CID 119814244
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7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
CID 119814208
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
methyl (2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoate
CID 68768500
1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
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(2S)-2-amino-3-(3-bromo-4-fluorophenyl)propanoic acid;hydrochloride
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(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
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2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride (CID 119952337) is 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride is CC(Cc1ccc(F)c(Br)c1)NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The InChIKey is ZNIRGVDNXXDMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O.ClH/c1-12(9-13-7-8-16(20)15(19)10-13)22-18(23)11-17(21)14-5-3-2-4-6-14;/h2-8,10,12,17H,9,11,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride has a molecular weight of 415.73 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).