2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide

C20H25BrN2O2 — CID 9341253

IUPAC2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H25BrN2O2/c21-16-2-1-3-17(7-16)23-19(25)12-22-18(24)11-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-12H2,(H,22,24)(H,23,25)
InChIKeyITQQEEVZUIWOOP-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.11
Rot. Bonds5

About 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide (PubChem CID 9341253) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
PubChem CID9341253
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H25BrN2O2/c21-16-2-1-3-17(7-16)23-19(25)12-22-18(24)11-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-12H2,(H,22,24)(H,23,25)
InChIKeyITQQEEVZUIWOOP-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
CID 55636206
2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 35808688
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
CID 40596742
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
2-(1-adamantyl)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]acetamide
CID 55560590
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide
CID 29367404

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide (CID 9341253) is 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide?
The InChIKey is ITQQEEVZUIWOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c21-16-2-1-3-17(7-16)23-19(25)12-22-18(24)11-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-12H2,(H,22,24)(H,23,25).
What are the key properties of 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide has a molecular weight of 405.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 9341253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).