2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide

C22H20BrNO — CID 133189902

IUPAC2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCc1cccc(C(NC(=O)Cc2cccc(Br)c2)c2ccccc2)c1
InChIInChI=1S/C22H20BrNO/c1-16-7-5-11-19(13-16)22(18-9-3-2-4-10-18)24-21(25)15-17-8-6-12-20(23)14-17/h2-14,22H,15H2,1H3,(H,24,25)
InChIKeyRQNQJYXVTKFEBL-UHFFFAOYSA-N
MW394.31 g/mol
LogP5.21
Rot. Bonds5

About 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide

2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide (PubChem CID 133189902) has the molecular formula C22H20BrNO and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide
PubChem CID133189902
Molecular FormulaC22H20BrNO
Molecular Weight394.31 g/mol
Exact Mass393.07
IUPAC Name2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCc1cccc(C(NC(=O)Cc2cccc(Br)c2)c2ccccc2)c1
InChIInChI=1S/C22H20BrNO/c1-16-7-5-11-19(13-16)22(18-9-3-2-4-10-18)24-21(25)15-17-8-6-12-20(23)14-17/h2-14,22H,15H2,1H3,(H,24,25)
InChIKeyRQNQJYXVTKFEBL-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 100750032
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
1-(3-bromophenyl)-3-[(S)-(3-methylphenyl)-phenylmethyl]thiourea
CID 100726609
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
3-(3-bromophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 53416015
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
CID 62388540
N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide
CID 140999664
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide (CID 133189902) is 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide is Cc1cccc(C(NC(=O)Cc2cccc(Br)c2)c2ccccc2)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is RQNQJYXVTKFEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO/c1-16-7-5-11-19(13-16)22(18-9-3-2-4-10-18)24-21(25)15-17-8-6-12-20(23)14-17/h2-14,22H,15H2,1H3,(H,24,25).
What are the key properties of 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 394.31 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(3-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 133189902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).