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

C19H21BrN2O2 — CID 112981224

IUPAC2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C19H21BrN2O2/c20-18-6-2-1-4-14(18)12-19(23)22-16-9-7-15(8-10-16)21-13-17-5-3-11-24-17/h1-2,4,6-10,17,21H,3,5,11-13H2,(H,22,23)
InChIKeyMJSFSRNOEJLBTC-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.22
Rot. Bonds6

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

2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide (PubChem CID 112981224) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
PubChem CID112981224
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C19H21BrN2O2/c20-18-6-2-1-4-14(18)12-19(23)22-16-9-7-15(8-10-16)21-13-17-5-3-11-24-17/h1-2,4,6-10,17,21H,3,5,11-13H2,(H,22,23)
InChIKeyMJSFSRNOEJLBTC-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-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981217
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
CID 112981200
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836534
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide (CID 112981224) is 2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide is O=C(Cc1ccccc1Br)Nc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
The InChIKey is MJSFSRNOEJLBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-18-6-2-1-4-14(18)12-19(23)22-16-9-7-15(8-10-16)21-13-17-5-3-11-24-17/h1-2,4,6-10,17,21H,3,5,11-13H2,(H,22,23).
What are the key properties of 2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide?
2-(2-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-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 112981224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).