N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide

C20H21BrN2O2 — CID 112846002

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(CNC(=O)C1(c2ccccc2)CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H21BrN2O2/c21-16-8-10-17(11-9-16)23-18(24)14-22-19(25)20(12-4-5-13-20)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2,(H,22,25)(H,23,24)
InChIKeyWLHWVGHCKPHYQX-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide

N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 112846002) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID112846002
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(CNC(=O)C1(c2ccccc2)CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H21BrN2O2/c21-16-8-10-17(11-9-16)23-18(24)14-22-19(25)20(12-4-5-13-20)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2,(H,22,25)(H,23,24)
InChIKeyWLHWVGHCKPHYQX-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 55879768
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 28624202
N-[4-(2-hydroxyethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 5073224
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide (CID 112846002) is N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide is O=C(CNC(=O)C1(c2ccccc2)CCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is WLHWVGHCKPHYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c21-16-8-10-17(11-9-16)23-18(24)14-22-19(25)20(12-4-5-13-20)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 401.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 112846002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).