N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide

C22H16BrF2NO2 — CID 139037213

IUPACN-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide
SMILESO=C(N[C@@H](c1ccc(Br)cc1)C(F)(F)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16BrF2NO2/c23-18-13-11-15(12-14-18)19(26-21(28)17-9-5-2-6-10-17)22(24,25)20(27)16-7-3-1-4-8-16/h1-14,19H,(H,26,28)/t19-/m0/s1
InChIKeyOHFKMQVICQAZIV-IBGZPJMESA-N
MW444.28 g/mol
LogP5.44
Rot. Bonds6

About N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide

N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide (PubChem CID 139037213) has the molecular formula C22H16BrF2NO2 and a molecular weight of 444.28 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide
PubChem CID139037213
Molecular FormulaC22H16BrF2NO2
Molecular Weight444.28 g/mol
Exact Mass443.03
IUPAC NameN-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide
SMILESO=C(N[C@@H](c1ccc(Br)cc1)C(F)(F)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16BrF2NO2/c23-18-13-11-15(12-14-18)19(26-21(28)17-9-5-2-6-10-17)22(24,25)20(27)16-7-3-1-4-8-16/h1-14,19H,(H,26,28)/t19-/m0/s1
InChIKeyOHFKMQVICQAZIV-IBGZPJMESA-N
XLogP5.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.28
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
n-Benzyl-4-bromobenzamide
CID 781117
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
4-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2903019
4-bromo-N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]benzamide
CID 16273161
N-[3-(benzylmethylamino)propyl]-4-bromo-2-fluorobenzamide
CID 41307231
4-bromo-N-phenacylbenzamide
CID 732474
N-[1-(4-bromophenyl)ethyl]benzamide
CID 2854121
3-(4-Benzoylpiperazin-1-yl)-1-(4-bromophenyl)propan-1-one
CID 2117563
4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide
CID 3591440
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4187968
4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide
CID 4587212

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide (CID 139037213) is N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide is O=C(N[C@@H](c1ccc(Br)cc1)C(F)(F)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide?
The InChIKey is OHFKMQVICQAZIV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H16BrF2NO2/c23-18-13-11-15(12-14-18)19(26-21(28)17-9-5-2-6-10-17)22(24,25)20(27)16-7-3-1-4-8-16/h1-14,19H,(H,26,28)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide?
N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide has a molecular weight of 444.28 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)-2,2-difluoro-3-oxo-3-phenylpropyl]benzamide is sourced from PubChem (CID 139037213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).