1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide

C14H19BrN2O — CID 113483535

IUPAC1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide
SMILESCCC1CCCC1(Nc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C14H19BrN2O/c1-2-10-4-3-9-14(10,13(16)18)17-12-7-5-11(15)6-8-12/h5-8,10,17H,2-4,9H2,1H3,(H2,16,18)
InChIKeyLPHBGOIQSOPUSE-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide

1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide (PubChem CID 113483535) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide
PubChem CID113483535
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide
SMILESCCC1CCCC1(Nc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C14H19BrN2O/c1-2-10-4-3-9-14(10,13(16)18)17-12-7-5-11(15)6-8-12/h5-8,10,17H,2-4,9H2,1H3,(H2,16,18)
InChIKeyLPHBGOIQSOPUSE-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide (CID 113483535) is 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide is CCC1CCCC1(Nc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide?
The InChIKey is LPHBGOIQSOPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-10-4-3-9-14(10,13(16)18)17-12-7-5-11(15)6-8-12/h5-8,10,17H,2-4,9H2,1H3,(H2,16,18).
What are the key properties of 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide?
1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-2-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 113483535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).