N-[2-(1-adamantyl)ethyl]-4-bromobenzamide

C19H24BrNO — CID 2919468

IUPACN-[2-(1-adamantyl)ethyl]-4-bromobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1
InChIInChI=1S/C19H24BrNO/c20-17-3-1-16(2-4-17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyNQEVRVZGKVQWAK-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.79
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-4-bromobenzamide

N-[2-(1-adamantyl)ethyl]-4-bromobenzamide (PubChem CID 2919468) has the molecular formula C19H24BrNO and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-bromobenzamide
PubChem CID2919468
Molecular FormulaC19H24BrNO
Molecular Weight362.31 g/mol
Exact Mass361.10
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-bromobenzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1
InChIInChI=1S/C19H24BrNO/c20-17-3-1-16(2-4-17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyNQEVRVZGKVQWAK-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
CID 106852949
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517
N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide
CID 18286681
N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 26285211
N-[2-(1-adamantyl)ethyl]-3-methyl-4-nitrobenzamide
CID 5219385
N-[2-(1-adamantyl)ethyl]-3-methoxybenzamide
CID 7751740
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-[2-(1-adamantyl)ethyl]quinoxaline-2-carboxamide
CID 24656137
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 53049844

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-4-bromobenzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-bromobenzamide (CID 2919468) is N-[2-(1-adamantyl)ethyl]-4-bromobenzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-bromobenzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-bromobenzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-bromobenzamide?
The InChIKey is NQEVRVZGKVQWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO/c20-17-3-1-16(2-4-17)18(22)21-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-bromobenzamide?
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide has a molecular weight of 362.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-bromobenzamide is sourced from PubChem (CID 2919468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).