2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide

C16H16BrFN2O — CID 62913529

IUPAC2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide
SMILESCC(NCc1ccccc1)(C(N)=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrFN2O/c1-16(15(19)21,12-7-8-14(18)13(17)9-12)20-10-11-5-3-2-4-6-11/h2-9,20H,10H2,1H3,(H2,19,21)
InChIKeyLPWXELBHSCKLBE-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.08
Rot. Bonds5

About 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide

2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide (PubChem CID 62913529) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide
PubChem CID62913529
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide
SMILESCC(NCc1ccccc1)(C(N)=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrFN2O/c1-16(15(19)21,12-7-8-14(18)13(17)9-12)20-10-11-5-3-2-4-6-11/h2-9,20H,10H2,1H3,(H2,19,21)
InChIKeyLPWXELBHSCKLBE-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502
4-[[[2-(3-bromo-4-fluorophenyl)-2-hydroxypropanoyl]amino]methyl]benzoic acid
CID 166333803
2-(3-bromo-4-fluorophenyl)-2-(prop-2-ynylamino)propanoic acid
CID 55211983
2-amino-2-(3-bromo-4-fluorophenyl)propanamide
CID 62913339
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154
2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991456
(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
CID 97238718
(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
CID 11727351
methyl 2-(3-bromo-4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propanoate
CID 62913533
ethyl 2-(3-bromo-4-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62915549

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide?
The IUPAC name of 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide (CID 62913529) is 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide?
The canonical SMILES for 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide is CC(NCc1ccccc1)(C(N)=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide?
The InChIKey is LPWXELBHSCKLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-16(15(19)21,12-7-8-14(18)13(17)9-12)20-10-11-5-3-2-4-6-11/h2-9,20H,10H2,1H3,(H2,19,21).
What are the key properties of 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide?
2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide has a molecular weight of 351.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(3-bromo-4-fluorophenyl)propanamide is sourced from PubChem (CID 62913529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).