N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide

C22H20BrNO — CID 985952

IUPACN-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@H](c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C22H20BrNO/c23-20-14-12-19(13-15-20)22(18-9-5-2-6-10-18)24-21(25)16-11-17-7-3-1-4-8-17/h1-10,12-15,22H,11,16H2,(H,24,25)/t22-/m1/s1
InChIKeyHZTXNXCOYSHHMA-JOCHJYFZSA-N
MW394.31 g/mol
LogP5.29
Rot. Bonds6

About N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide

N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide (PubChem CID 985952) has the molecular formula C22H20BrNO and a molecular weight of 394.31 g/mol. Its IUPAC name is N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
PubChem CID985952
Molecular FormulaC22H20BrNO
Molecular Weight394.31 g/mol
Exact Mass393.07
IUPAC NameN-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@H](c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C22H20BrNO/c23-20-14-12-19(13-15-20)22(18-9-5-2-6-10-18)24-21(25)16-11-17-7-3-1-4-8-17/h1-10,12-15,22H,11,16H2,(H,24,25)/t22-/m1/s1
InChIKeyHZTXNXCOYSHHMA-JOCHJYFZSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide
CID 59689158
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55609022
3-(3,4-dimethylphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133186877
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119750778

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide?
The IUPAC name of N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide (CID 985952) is N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@H](c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide?
The InChIKey is HZTXNXCOYSHHMA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20BrNO/c23-20-14-12-19(13-15-20)22(18-9-5-2-6-10-18)24-21(25)16-11-17-7-3-1-4-8-17/h1-10,12-15,22H,11,16H2,(H,24,25)/t22-/m1/s1.
What are the key properties of N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide?
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide has a molecular weight of 394.31 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide is sourced from PubChem (CID 985952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).