2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide

C19H21BrN2O2 — CID 112981222

IUPAC2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C19H21BrN2O2/c20-15-5-3-14(4-6-15)12-19(23)22-17-9-7-16(8-10-17)21-13-18-2-1-11-24-18/h3-10,18,21H,1-2,11-13H2,(H,22,23)
InChIKeyOFHJMRBWNKRGPX-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.22
Rot. Bonds6

About 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide

2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide (PubChem CID 112981222) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
PubChem CID112981222
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C19H21BrN2O2/c20-15-5-3-14(4-6-15)12-19(23)22-17-9-7-16(8-10-17)21-13-18-2-1-11-24-18/h3-10,18,21H,1-2,11-13H2,(H,22,23)
InChIKeyOFHJMRBWNKRGPX-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981224
2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981217
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432
2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527592
2-(4-methoxyphenyl)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025395
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide (CID 112981222) is 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The InChIKey is OFHJMRBWNKRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-15-5-3-14(4-6-15)12-19(23)22-17-9-7-16(8-10-17)21-13-18-2-1-11-24-18/h3-10,18,21H,1-2,11-13H2,(H,22,23).
What are the key properties of 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 112981222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).